Compounds

Type:
Small molecule

AlogP:
1.13

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA538563

Name:
2-(6,7-Dichloro-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydroShow More⌵

Mol. Formula:
C11H11Cl3N2O

M.W.:
293.58

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.84

DETAILS

ALA540858

Name:
2-(2,3-Dihydro-benzo[b]thiophen-2-yl)-4,5-dihydro-1H-imidazole hydrochloridShow More⌵

Mol. Formula:
C11H13ClN2S

M.W.:
240.76

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
24.39

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

Efaroxan hydrochloride

Name:
2-(2-Ethyl-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydrochlorShow More⌵

Mol. Formula:
C13H17ClN2O

M.W.:
252.75

132 activity values

40 unique targets

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.82

DETAILS

ALA538803

Name:
2-(5-Chloro-7-methyl-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole Show More⌵

Mol. Formula:
C12H14Cl2N2O

M.W.:
273.16

Type:
Small molecule

AlogP:
1.95

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA541870

Name:
2-(7-Methyl-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydrochloShow More⌵

Mol. Formula:
C12H15ClN2O

M.W.:
238.72

7 activity values

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA555505

Name:
2-(7-Chloro-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydrochloShow More⌵

Mol. Formula:
C11H12Cl2N2O

M.W.:
259.14

7 activity values

Type:
Small molecule

AlogP:
1.65

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA540847

Name:
2-(5-Methoxy-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydrochlShow More⌵

Mol. Formula:
C12H15ClN2O2

M.W.:
254.72

Type:
Small molecule

AlogP:
1.00

Polar Surface Area:
42.85

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA540844

Name:
2-(2-Pentyl-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydrochloShow More⌵

Mol. Formula:
C16H23ClN2O

M.W.:
294.83

8 activity values

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA553966

Name:
2-(2-Phenethyl-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydrocShow More⌵

Mol. Formula:
C19H21ClN2O

M.W.:
328.84

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA553726

Name:
2-(7-Methoxy-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydrochlShow More⌵

Mol. Formula:
C12H15ClN2O2

M.W.:
254.72

Type:
Small molecule

AlogP:
1.00

Polar Surface Area:
42.85

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

2-BFI hydrochloride

Name:
2-Benzofuran-2-yl-4,5-dihydro-1H-imidazole hydrochloride

Mol. Formula:
C11H11ClN2O

M.W.:
222.68

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
37.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA542026

Name:
2-(6-Methyl-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydrochloShow More⌵

Mol. Formula:
C12H15ClN2O

M.W.:
238.72

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA542025

Name:
2-(6-Methoxy-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydrochlShow More⌵

Mol. Formula:
C12H15ClN2O2

M.W.:
254.72

Type:
Small molecule

AlogP:
1.00

Polar Surface Area:
42.85

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA542024

Name:
2-Benzo[b]thiophen-2-yl-4,5-dihydro-1H-imidazole hydrochloride

Mol. Formula:
C11H11ClN2S

M.W.:
238.74

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
24.39

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA552855

Name:
2-(5-Chloro-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydrochloShow More⌵

Mol. Formula:
C11H12Cl2N2O

M.W.:
259.14

8 activity values

Type:
Small molecule

AlogP:
1.65

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA543463

Name:
2-(4-Chloro-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydrochloShow More⌵

Mol. Formula:
C11H12Cl2N2O

M.W.:
259.14

Type:
Small molecule

AlogP:
1.65

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA542763

Name:
2-(4,5-Dihydro-1H-imidazol-2-yl)-2,3-dihydro-benzofuran-6-ol hydrobromide

Mol. Formula:
C11H13BrN2O2

M.W.:
285.14

Type:
Small molecule

AlogP:
0.70

Polar Surface Area:
53.85

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA553740

Name:
2-(5,7-Dichloro-2,3-dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydroShow More⌵

Mol. Formula:
C11H11Cl3N2O

M.W.:
293.58

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
33.62

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.84

DETAILS

ALA542760

Name:
2-(2,3-Dihydro-benzofuran-2-yl)-4,5-dihydro-1H-imidazole hydrochloride

Mol. Formula:
C11H13ClN2O

M.W.:
224.69

7 activity values