N-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide

C20H13ClN4O — CID 4891873

IUPACN-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)cn2c(nc3ccccc32)c1C#N
InChIInChI=1S/C20H13ClN4O/c1-12-15(10-22)19-24-17-7-2-3-8-18(17)25(19)11-16(12)20(26)23-14-6-4-5-13(21)9-14/h2-9,11H,1H3,(H,23,26)
InChIKeyULXAXBVPMMVCIE-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.57
Rot. Bonds2

About N-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide

N-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 4891873) has the molecular formula C20H13ClN4O and a molecular weight of 360.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide
PubChem CID4891873
Molecular FormulaC20H13ClN4O
Molecular Weight360.80 g/mol
Exact Mass360.08
IUPAC NameN-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)cn2c(nc3ccccc32)c1C#N
InChIInChI=1S/C20H13ClN4O/c1-12-15(10-22)19-24-17-7-2-3-8-18(17)25(19)11-16(12)20(26)23-14-6-4-5-13(21)9-14/h2-9,11H,1H3,(H,23,26)
InChIKeyULXAXBVPMMVCIE-UHFFFAOYSA-N
XLogP4.57
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide (CID 4891873) is N-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide is Cc1c(C(=O)Nc2cccc(Cl)c2)cn2c(nc3ccccc32)c1C#N.
What is the InChIKey of N-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is ULXAXBVPMMVCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O/c1-12-15(10-22)19-24-17-7-2-3-8-18(17)25(19)11-16(12)20(26)23-14-6-4-5-13(21)9-14/h2-9,11H,1H3,(H,23,26).
What are the key properties of N-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide?
N-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 360.80 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-cyano-3-methylpyrido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 4891873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).