2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile

C14H10N4O — CID 90643043

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile
SMILESCn1c(=O)n(-c2ncccc2C#N)c2ccccc21
InChIInChI=1S/C14H10N4O/c1-17-11-6-2-3-7-12(11)18(14(17)19)13-10(9-15)5-4-8-16-13/h2-8H,1H3
InChIKeyWRYNBVKWAIZADG-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.60
Rot. Bonds1

About 2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile

2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile (PubChem CID 90643043) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile
PubChem CID90643043
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile
SMILESCn1c(=O)n(-c2ncccc2C#N)c2ccccc21
InChIInChI=1S/C14H10N4O/c1-17-11-6-2-3-7-12(11)18(14(17)19)13-10(9-15)5-4-8-16-13/h2-8H,1H3
InChIKeyWRYNBVKWAIZADG-UHFFFAOYSA-N
XLogP1.60
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile (CID 90643043) is 2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile is Cn1c(=O)n(-c2ncccc2C#N)c2ccccc21.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile?
The InChIKey is WRYNBVKWAIZADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-17-11-6-2-3-7-12(11)18(14(17)19)13-10(9-15)5-4-8-16-13/h2-8H,1H3.
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile?
2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxobenzimidazol-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 90643043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).