6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile

C15H11ClN4 — CID 155154571

IUPAC6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile
SMILESCc1cccc2c1nc(Cl)n2Cc1ccc(C#N)cn1
InChIInChI=1S/C15H11ClN4/c1-10-3-2-4-13-14(10)19-15(16)20(13)9-12-6-5-11(7-17)8-18-12/h2-6,8H,9H2,1H3
InChIKeyODFPHGMWXWUMQZ-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.31
Rot. Bonds2

About 6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile

6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile (PubChem CID 155154571) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is 6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile
PubChem CID155154571
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC Name6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile
SMILESCc1cccc2c1nc(Cl)n2Cc1ccc(C#N)cn1
InChIInChI=1S/C15H11ClN4/c1-10-3-2-4-13-14(10)19-15(16)20(13)9-12-6-5-11(7-17)8-18-12/h2-6,8H,9H2,1H3
InChIKeyODFPHGMWXWUMQZ-UHFFFAOYSA-N
XLogP3.31
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 155154540
6-(chloromethyl)pyridine-3-carbonitrile
CID 14980535
6-[[2-[(3S)-3-amino-3-methylpiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 150729815
1-benzyl-2,4-dimethylbenzimidazole
CID 14933027
2-chloro-4,6-difluoro-1-[(5-fluoro-2-pyridinyl)methyl]benzimidazole
CID 155154535
6-(4-methyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile
CID 64722293
6-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-3-carbonitrile
CID 121362151
4-[[2-(1-chloroethyl)-4-methylbenzimidazol-1-yl]methyl]-1,3-thiazole
CID 114041799
6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 138562492
6-[[2-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 154696743
(3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide
CID 154635625
3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 103760415

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile (CID 155154571) is 6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile is Cc1cccc2c1nc(Cl)n2Cc1ccc(C#N)cn1.
What is the InChIKey of 6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile?
The InChIKey is ODFPHGMWXWUMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4/c1-10-3-2-4-13-14(10)19-15(16)20(13)9-12-6-5-11(7-17)8-18-12/h2-6,8H,9H2,1H3.
What are the key properties of 6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile?
6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile has a molecular weight of 282.73 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 155154571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).