3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile

C15H12N4 — CID 104712271

IUPAC3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
SMILESCc1ncccc1-c1nc2ccc(C#N)cc2n1C
InChIInChI=1S/C15H12N4/c1-10-12(4-3-7-17-10)15-18-13-6-5-11(9-16)8-14(13)19(15)2/h3-8H,1-2H3
InChIKeyNZKGJAJPSIGBTI-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.82
Rot. Bonds1

About 3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile

3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile (PubChem CID 104712271) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
PubChem CID104712271
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
SMILESCc1ncccc1-c1nc2ccc(C#N)cc2n1C
InChIInChI=1S/C15H12N4/c1-10-12(4-3-7-17-10)15-18-13-6-5-11(9-16)8-14(13)19(15)2/h3-8H,1-2H3
InChIKeyNZKGJAJPSIGBTI-UHFFFAOYSA-N
XLogP2.82
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712321
2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712311
2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712614
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712447
3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile
CID 113444313
2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444314
2-(5-bromo-2-chlorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712694
2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 104712352
2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile
CID 171494383
2-(5-fluoro-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104786693
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile?
The IUPAC name of 3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile (CID 104712271) is 3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile is Cc1ncccc1-c1nc2ccc(C#N)cc2n1C.
What is the InChIKey of 3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile?
The InChIKey is NZKGJAJPSIGBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-10-12(4-3-7-17-10)15-18-13-6-5-11(9-16)8-14(13)19(15)2/h3-8H,1-2H3.
What are the key properties of 3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile?
3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104712271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).