2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

C19H11N3O2 — CID 1484499

IUPAC2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccccc2O)cn2c1nc1ccccc12
InChIInChI=1S/C19H11N3O2/c20-10-12-9-13(18(24)14-5-1-4-8-17(14)23)11-22-16-7-3-2-6-15(16)21-19(12)22/h1-9,11,23H
InChIKeyAHSZBYMNURLKSC-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.30
Rot. Bonds2

About 2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile (PubChem CID 1484499) has the molecular formula C19H11N3O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
PubChem CID1484499
Molecular FormulaC19H11N3O2
Molecular Weight313.32 g/mol
Exact Mass313.09
IUPAC Name2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccccc2O)cn2c1nc1ccccc12
InChIInChI=1S/C19H11N3O2/c20-10-12-9-13(18(24)14-5-1-4-8-17(14)23)11-22-16-7-3-2-6-15(16)21-19(12)22/h1-9,11,23H
InChIKeyAHSZBYMNURLKSC-UHFFFAOYSA-N
XLogP3.30
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The IUPAC name of 2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile (CID 1484499) is 2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile is N#Cc1cc(C(=O)c2ccccc2O)cn2c1nc1ccccc12.
What is the InChIKey of 2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
The InChIKey is AHSZBYMNURLKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O2/c20-10-12-9-13(18(24)14-5-1-4-8-17(14)23)11-22-16-7-3-2-6-15(16)21-19(12)22/h1-9,11,23H.
What are the key properties of 2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile?
2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile has a molecular weight of 313.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybenzoyl)pyrido[1,2-a]benzimidazole-4-carbonitrile is sourced from PubChem (CID 1484499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).