5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile

C17H14ClN3O — CID 59218667

IUPAC5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile
SMILESCOCc1nc2ccc(-c3ccccc3Cl)c(C#N)c2n1C
InChIInChI=1S/C17H14ClN3O/c1-21-16(10-22-2)20-15-8-7-11(13(9-19)17(15)21)12-5-3-4-6-14(12)18/h3-8H,10H2,1-2H3
InChIKeyQBWBQGNAGKANPV-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.91
Rot. Bonds3

About 5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile

5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile (PubChem CID 59218667) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile
PubChem CID59218667
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile
SMILESCOCc1nc2ccc(-c3ccccc3Cl)c(C#N)c2n1C
InChIInChI=1S/C17H14ClN3O/c1-21-16(10-22-2)20-15-8-7-11(13(9-19)17(15)21)12-5-3-4-6-14(12)18/h3-8H,10H2,1-2H3
InChIKeyQBWBQGNAGKANPV-UHFFFAOYSA-N
XLogP3.91
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile?
The IUPAC name of 5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile (CID 59218667) is 5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile.
What is the SMILES notation for 5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile?
The canonical SMILES for 5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile is COCc1nc2ccc(-c3ccccc3Cl)c(C#N)c2n1C.
What is the InChIKey of 5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile?
The InChIKey is QBWBQGNAGKANPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-21-16(10-22-2)20-15-8-7-11(13(9-19)17(15)21)12-5-3-4-6-14(12)18/h3-8H,10H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile?
5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile has a molecular weight of 311.77 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-(methoxymethyl)-3-methylbenzimidazole-4-carbonitrile is sourced from PubChem (CID 59218667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).