3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile

C13H9N3O — CID 613997

IUPAC3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(=O)n2c([nH]c3ccccc32)c1C#N
InChIInChI=1S/C13H9N3O/c1-8-6-12(17)16-11-5-3-2-4-10(11)15-13(16)9(8)7-14/h2-6,15H,1H3
InChIKeyODPPIAGQLCIUJF-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.96
Rot. Bonds

About 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile

3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 613997) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID613997
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCc1cc(=O)n2c([nH]c3ccccc32)c1C#N
InChIInChI=1S/C13H9N3O/c1-8-6-12(17)16-11-5-3-2-4-10(11)15-13(16)9(8)7-14/h2-6,15H,1H3
InChIKeyODPPIAGQLCIUJF-UHFFFAOYSA-N
XLogP1.96
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
2-benzyl-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 708445
11-Ethyl-13-sulfanyl-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile
CID 3833874
11-Ethyl-13-oxo-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,9,11-pentaene-10-carbonitrile
CID 2114010
1,3-Dihydro-1-(1-methylvinyl)-2H-benzimidazol-2-one
CID 100278
1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 711253
2-(2-Hydroxyethyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
CID 373492
2-[({10-Cyano-13-oxo-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,9,11-pentaen-11-yl}methyl)sulfanyl]propanoic acid
CID 3407389
3-methyl-1-oxo-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 16423013
3-methyl-2-(2-methylprop-2-enyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 752162
2-Ethyl-3-methyl-1-sulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 931124
5-Methyl-1-oxo-3-phenyl-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
CID 2815149

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 613997) is 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile is Cc1cc(=O)n2c([nH]c3ccccc32)c1C#N.
What is the InChIKey of 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is ODPPIAGQLCIUJF-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/h2-6,15H,1H3.
What are the key properties of 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile?
3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 223.24 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 613997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).