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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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).