Compounds

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
84.66

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4646744

Name:
4-Nitro-2-(4-pyridyl)-1H-benzimidazole

Mol. Formula:
C12H8N4O2

M.W.:
240.22

Type:
Unknown

AlogP:
2.53

Polar Surface Area:
84.71

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4649365

Name:
N,N-Dimethyl-2-(4-pyridyl)-1H-benzimidazole-4-carb
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Mol. Formula:
C15H14N4O

M.W.:
266.30

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
61.88

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4645636

Name:
2-(2-Methoxy-4-pyridyl)-1H-benzimidazole-4-carboxa
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Mol. Formula:
C14H12N4O2

M.W.:
268.28

Type:
Unknown

AlogP:
1.73

Polar Surface Area:
93.89

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4640475

Name:
2-Pyrimidin-5-yl-1H-benzimidazole-4-carboxamide

Mol. Formula:
C12H9N5O

M.W.:
239.24

Type:
Unknown

AlogP:
1.12

Polar Surface Area:
97.55

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4638916

Name:
Ethyl 2-(4-pyridyl)-1H-benzimidazole-5-carboxylate

Mol. Formula:
C15H13N3O2

M.W.:
267.29

Type:
Unknown

AlogP:
2.80

Polar Surface Area:
67.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4637286

Name:
2-(4-Pyridyl)-1H-benzimidazole-5-carboxamide

Mol. Formula:
C13H10N4O

M.W.:
238.25

Type:
Unknown

AlogP:
1.72

Polar Surface Area:
84.66

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4636367

Name:
Methyl 2-[4-carbamoyl-2-(4-pyridyl)benzimidazol-1-
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Mol. Formula:
C16H14N4O3

M.W.:
310.31

Type:
Unknown

AlogP:
1.37

Polar Surface Area:
100.10

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4635777

Name:
N-Methyl-2-(4-pyridyl)-1H-benzimidazole-4-carboxam
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Mol. Formula:
C14H12N4O

M.W.:
252.28

Type:
Unknown

AlogP:
1.98

Polar Surface Area:
70.67

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4634210

Name:
2-(4-Pyridyl)-1H-benzimidazole-5-carbonitrile

Cas Number:
1421262-04-5

Mol. Formula:
C13H8N4

M.W.:
220.24

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
65.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4632420

Name:
Methyl 2-(4-pyridyl)-1H-benzimidazole-4-carboxylat
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Mol. Formula:
C14H11N3O2

M.W.:
253.26

Type:
Unknown

AlogP:
2.41

Polar Surface Area:
67.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5208324

Name:
2-(pyridin-2-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2
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Mol. Formula:
C12H11N3O

M.W.:
213.24

Type:
---

AlogP:
1.36

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA5202568

Name:
2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-indol-4-one

Mol. Formula:
C13H12N2O

M.W.:
212.25

Type:
---

AlogP:
2.60

Polar Surface Area:
45.75

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA5187643

Name:
1-isopropyl-2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H
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Mol. Formula:
C15H17N3O

M.W.:
255.32

Type:
---

AlogP:
2.42

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.90

DETAILS

ALA5187274

Name:
2-(pyridin-4-yl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2
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Mol. Formula:
C12H13N3

M.W.:
199.26

Type:
---

AlogP:
1.72

Polar Surface Area:
40.71

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.73

DETAILS

ALA5182936

Name:
1-propyl-2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-py
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Mol. Formula:
C15H17N3O

M.W.:
255.32

7 activity values

4 unique targets

Type:
---

AlogP:
2.25

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.91

DETAILS

ALA5182853

Name:
1-ethyl-5-methyl-2-(pyridin-4-yl)-1,5,6,7-tetrahyd
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Mol. Formula:
C15H17N3O

M.W.:
255.32

Type:
---

AlogP:
2.20

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA5176291

Name:
1-ethyl-5-propyl-2-(pyridin-4-yl)-1,5,6,7-tetrahyd
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Mol. Formula:
C17H21N3O

M.W.:
283.38

Type:
---

AlogP:
2.98

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5175087

Name:
6-phenyl-2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-py
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Mol. Formula:
C18H15N3O

M.W.:
289.34

Type:
---

AlogP:
3.10

Polar Surface Area:
57.78

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5170263

Name:
1-benzyl-2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-py
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Mol. Formula:
C19H17N3O

M.W.:
303.37