3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile

C13H9N3O — CID 9429852

IUPAC3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCC1=C(C#N)c2nc3ccccc3n2C(=O)C1
InChIInChI=1S/C13H9N3O/c1-8-6-12(17)16-11-5-3-2-4-10(11)15-13(16)9(8)7-14/h2-5H,6H2,1H3
InChIKeyLRLNPWHKKWKMLD-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.38
Rot. Bonds

About 3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile

3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 9429852) has the molecular formula C13H9N3O and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID9429852
Molecular FormulaC13H9N3O
Molecular Weight223.23 g/mol
Exact Mass223.07
IUPAC Name3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCC1=C(C#N)c2nc3ccccc3n2C(=O)C1
InChIInChI=1S/C13H9N3O/c1-8-6-12(17)16-11-5-3-2-4-10(11)15-13(16)9(8)7-14/h2-5H,6H2,1H3
InChIKeyLRLNPWHKKWKMLD-UHFFFAOYSA-N
XLogP2.38
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-methylbenzimidazole-1-carbonitrile
CID 10942715
pyrrolo[1,2-a]benzimidazol-1-one
CID 23661048
3,4-dihydro-2H-pyrido[1,2-a]benzimidazol-1-one
CID 14171670
2-(4-methylphenyl)benzimidazole-1-carbonitrile
CID 57069753
4-hydroxy-3-oxoquinoxaline-2-carbonitrile
CID 10442447
[(5R)-5-methyl-6-oxobenzimidazolo[2,1-a]isoquinolin-5-yl]methyl thiocyanate
CID 164675633
1-methyl-3H-pyrrolo[1,2-a]benzimidazole
CID 45078447
1-(4-methyl-2-pyridinyl)benzimidazole-2-carbonitrile
CID 15363635
1,3-dimethyl-4-methylidenepyrimido[1,2-a]benzimidazole-2-carbonitrile
CID 142193039
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
3-phenylpyrrolo[1,2-a]benzimidazol-1-one
CID 23660962

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 9429852) is 3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile is CC1=C(C#N)c2nc3ccccc3n2C(=O)C1.
What is the InChIKey of 3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is LRLNPWHKKWKMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c1-8-6-12(17)16-11-5-3-2-4-10(11)15-13(16)9(8)7-14/h2-5H,6H2,1H3.
What are the key properties of 3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 223.23 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxo-2H-pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 9429852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).