Compounds

ALA3249538

Name:
5-isothiocyanato-2-phenyl-1H-benzimidazole

Mol. Formula:
C14H9N3S

M.W.:
251.31

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
41.04

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3249537

Name:
5-Isothiocyanato-2-(2-pyridyl)-1H-benzimidazole N-Oxide

Mol. Formula:
C13H8N4OS

M.W.:
268.30

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
67.98

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3249536

Name:
2-(5,6-diisothiocyanato-1-methyl-1H-benzo[d]imidazol-2-yl)-1-methylpyridiniShow More⌵

Mol. Formula:
C16H12IN5S2

M.W.:
465.35

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
46.42

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3249535

Name:
(5,6-diisothiocyanato-2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)methanol

Mol. Formula:
C15H9N5OS2

M.W.:
339.41

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.52

Polar Surface Area:
75.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3249534

Name:
2-(5,6-diisothiocyanato-2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)-4,5-dihyShow More⌵

Mol. Formula:
C17H10N6S3

M.W.:
394.51

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
67.79

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3249533

Name:
5-Isothiocyanato-2-(4-isothiocyanato-2-pyridinyl)-1H-benzimidazole

Mol. Formula:
C14H7N5S2

M.W.:
309.38

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
66.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3249532

Name:
2-(4-Chloro-2-pyridinyl)-5-isothiocyanato-1H-benzimidazole

Mol. Formula:
C13H7ClN4S

M.W.:
286.75

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
53.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3249531

Name:
5-Isothiocyanato-2-(4-methoxy-2-pyridinyl)-1H-benzimidazole

Mol. Formula:
C14H10N4OS

M.W.:
282.33

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
63.16

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3249530

Name:
2-(4-Isothiocyanato-2-pyridinyl)-lH-benzimidazole

Mol. Formula:
C13H8N4S

M.W.:
252.30

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
53.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3249529

Name:
5-isothiocyanato-2-(4-methylpyridin-2-yl)-1H-benzo[d]imidazole

Mol. Formula:
C14H10N4S

M.W.:
266.33

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
53.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3249528

Name:
5,6-diisothiocyanato-1-methyl-2-(pyridin-2-yl)-1H-benzo[d]imidazole

Mol. Formula:
C15H9N5S2

M.W.:
323.41

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
55.43

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3249527

Name:
3-(5,6-diisothiocyanato-2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)propaneniShow More⌵

Mol. Formula:
C17H10N6S2

M.W.:
362.44

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.48

Polar Surface Area:
79.22

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3249526

Name:
4-isothiocyanato-2-(pyridin-2-yl)-1H-benzo[d]imidazole

Mol. Formula:
C13H8N4S

M.W.:
252.30

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
53.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3249525

Name:
4,6-diisothiocyanato-5-methyl-2-(pyridin-2-yl)-1H-benzo[d]imidazole

Mol. Formula:
C15H9N5S2

M.W.:
323.41

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
66.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3249524

Name:
6-chloro-5-isothiocyanato-2-(pyridin-2-yl)-1H-benzo[d]imidazole

Mol. Formula:
C13H7ClN4S

M.W.:
286.75

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
53.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3249523

Name:
5-isothiocyanato-2-(6-methylpyridin-2-yl)-1H-benzo[d]imidazole

Mol. Formula:
C14H10N4S

M.W.:
266.33

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
53.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3249522

Name:
5-isothiocyanato-2-(pyridin-2-yl)-1H-benzo[d]imidazole 4-methylbenzenesulfoShow More⌵

Mol. Formula:
C20H16N4O3S2

M.W.:
424.51

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
53.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3249521

Name:
5-isothiocyanato-2-(pyridin-2-yl)-1H-benzo[d]imidazole hydrochloride

Mol. Formula:
C13H9ClN4S

M.W.:
288.76

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
53.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3249520

Name:
5-isothiocyanato-2-(pyridin-3-yl)-1H-benzo[d]imidazole

Mol. Formula:
C13H8N4S

M.W.:
252.30

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
53.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3249519

Name:
5-isothiocyanato-2-(pyridin-4-yl)-1H-benzo[d]imidazole

Mol. Formula:
C13H8N4S

M.W.:
252.30

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
53.93

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS