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

C16H15ClN2O — CID 82149518

IUPAC3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
SMILESOCCCn1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C16H15ClN2O/c17-13-6-3-5-12(11-13)16-18-14-7-1-2-8-15(14)19(16)9-4-10-20/h1-3,5-8,11,20H,4,9-10H2
InChIKeyARWJFSCXHZNXDX-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.74
Rot. Bonds4

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

3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol (PubChem CID 82149518) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
PubChem CID82149518
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
SMILESOCCCn1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C16H15ClN2O/c17-13-6-3-5-12(11-13)16-18-14-7-1-2-8-15(14)19(16)9-4-10-20/h1-3,5-8,11,20H,4,9-10H2
InChIKeyARWJFSCXHZNXDX-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756196
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
3-[6-chloro-2-(3-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 46308458
1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole
CID 17002067
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile
CID 82144803
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
2-[2-(3-chlorophenyl)benzimidazol-1-yl]ethanethioamide
CID 39151422
1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
1-(azepan-1-yl)-3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-one
CID 17002094
3-[2-(1,3-benzodioxol-5-yl)benzimidazol-1-yl]propan-1-ol
CID 82149522
2-(3-chlorophenyl)-1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazole
CID 17002028
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol (CID 82149518) is 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol is OCCCn1c(-c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is ARWJFSCXHZNXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-13-6-3-5-12(11-13)16-18-14-7-1-2-8-15(14)19(16)9-4-10-20/h1-3,5-8,11,20H,4,9-10H2.
What are the key properties of 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol?
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 286.76 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 82149518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).