3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol

C16H16ClN3O — CID 82068123

IUPAC3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol
SMILESNc1cccc2c1nc(-c1ccc(Cl)cc1)n2CCCO
InChIInChI=1S/C16H16ClN3O/c17-12-7-5-11(6-8-12)16-19-15-13(18)3-1-4-14(15)20(16)9-2-10-21/h1,3-8,21H,2,9-10,18H2
InChIKeyGRFGBXBVDYAPID-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.32
Rot. Bonds4

About 3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol

3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol (PubChem CID 82068123) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol
PubChem CID82068123
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol
SMILESNc1cccc2c1nc(-c1ccc(Cl)cc1)n2CCCO
InChIInChI=1S/C16H16ClN3O/c17-12-7-5-11(6-8-12)16-19-15-13(18)3-1-4-14(15)20(16)9-2-10-21/h1,3-8,21H,2,9-10,18H2
InChIKeyGRFGBXBVDYAPID-UHFFFAOYSA-N
XLogP3.32
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine
CID 82068115
2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine
CID 82067840
2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 82067826
3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol
CID 82067574
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol
CID 82068272
3-(4-amino-2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82068172
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82149518
2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide
CID 82068333
2-[4-amino-2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 82067899
3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 46308458
1-(4-chlorobutyl)-2-(4-chlorophenyl)benzimidazole
CID 68599548
2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine
CID 82067903

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol (CID 82068123) is 3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol is Nc1cccc2c1nc(-c1ccc(Cl)cc1)n2CCCO.
What is the InChIKey of 3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is GRFGBXBVDYAPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-12-7-5-11(6-8-12)16-19-15-13(18)3-1-4-14(15)20(16)9-2-10-21/h1,3-8,21H,2,9-10,18H2.
What are the key properties of 3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol?
3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 301.78 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82068123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).