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

C19H13N3O — CID 2815149

IUPAC5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCn1c2ccccc2n2c(=O)cc(-c3ccccc3)c(C#N)c12
InChIInChI=1S/C19H13N3O/c1-21-16-9-5-6-10-17(16)22-18(23)11-14(15(12-20)19(21)22)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyQEKLWKPGHRKLOG-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.33
Rot. Bonds1

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

5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 2815149) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID2815149
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESCn1c2ccccc2n2c(=O)cc(-c3ccccc3)c(C#N)c12
InChIInChI=1S/C19H13N3O/c1-21-16-9-5-6-10-17(16)22-18(23)11-14(15(12-20)19(21)22)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyQEKLWKPGHRKLOG-UHFFFAOYSA-N
XLogP3.33
TPSA50.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile (CID 2815149) is 5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile is Cn1c2ccccc2n2c(=O)cc(-c3ccccc3)c(C#N)c12.
What is the InChIKey of 5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is QEKLWKPGHRKLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c1-21-16-9-5-6-10-17(16)22-18(23)11-14(15(12-20)19(21)22)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile?
5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 299.33 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 2815149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).