5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile

C16H12ClN3O — CID 11565630

IUPAC5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)ccc2ncn(CCO)c12
InChIInChI=1S/C16H12ClN3O/c17-14-4-2-1-3-12(14)11-5-6-15-16(13(11)9-18)20(7-8-21)10-19-15/h1-6,10,21H,7-8H2
InChIKeyHQJUHUUDHASPKB-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.22
Rot. Bonds3

About 5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile

5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile (PubChem CID 11565630) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile
PubChem CID11565630
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2Cl)ccc2ncn(CCO)c12
InChIInChI=1S/C16H12ClN3O/c17-14-4-2-1-3-12(14)11-5-6-15-16(13(11)9-18)20(7-8-21)10-19-15/h1-6,10,21H,7-8H2
InChIKeyHQJUHUUDHASPKB-UHFFFAOYSA-N
XLogP3.22
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile?
The IUPAC name of 5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile (CID 11565630) is 5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile is N#Cc1c(-c2ccccc2Cl)ccc2ncn(CCO)c12.
What is the InChIKey of 5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile?
The InChIKey is HQJUHUUDHASPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-14-4-2-1-3-12(14)11-5-6-15-16(13(11)9-18)20(7-8-21)10-19-15/h1-6,10,21H,7-8H2.
What are the key properties of 5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile?
5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile has a molecular weight of 297.75 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-(2-hydroxyethyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 11565630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).