2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile

C16H12ClN3 — CID 104712311

IUPAC2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCc1cccc(-c2nc3ccc(C#N)cc3n2C)c1Cl
InChIInChI=1S/C16H12ClN3/c1-10-4-3-5-12(15(10)17)16-19-13-7-6-11(9-18)8-14(13)20(16)2/h3-8H,1-2H3
InChIKeyWKJWYOMSKHGJFF-UHFFFAOYSA-N
MW281.75 g/mol
LogP4.07
Rot. Bonds1

About 2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile

2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile (PubChem CID 104712311) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile
PubChem CID104712311
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile
SMILESCc1cccc(-c2nc3ccc(C#N)cc3n2C)c1Cl
InChIInChI=1S/C16H12ClN3/c1-10-4-3-5-12(15(10)17)16-19-13-7-6-11(9-18)8-14(13)20(16)2/h3-8H,1-2H3
InChIKeyWKJWYOMSKHGJFF-UHFFFAOYSA-N
XLogP4.07
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712321
3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104712271
2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712614
2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712694
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977
2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444314
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712447
2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 104712352
3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile
CID 113444313
1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
CID 79807966
2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444304

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile (CID 104712311) is 2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile is Cc1cccc(-c2nc3ccc(C#N)cc3n2C)c1Cl.
What is the InChIKey of 2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile?
The InChIKey is WKJWYOMSKHGJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c1-10-4-3-5-12(15(10)17)16-19-13-7-6-11(9-18)8-14(13)20(16)2/h3-8H,1-2H3.
What are the key properties of 2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile?
2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile has a molecular weight of 281.75 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 104712311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).