N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide

C20H14N4O2 — CID 23775465

IUPACN-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nc2ccccc2n1C(=O)c1ccccn1
InChIInChI=1S/C20H14N4O2/c25-19(22-14-8-2-1-3-9-14)18-23-15-10-4-5-12-17(15)24(18)20(26)16-11-6-7-13-21-16/h1-13H,(H,22,25)
InChIKeyFHEOFKCOPFIGLS-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.37
Rot. Bonds3

About N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide

N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide (PubChem CID 23775465) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide
PubChem CID23775465
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC NameN-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nc2ccccc2n1C(=O)c1ccccn1
InChIInChI=1S/C20H14N4O2/c25-19(22-14-8-2-1-3-9-14)18-23-15-10-4-5-12-17(15)24(18)20(26)16-11-6-7-13-21-16/h1-13H,(H,22,25)
InChIKeyFHEOFKCOPFIGLS-UHFFFAOYSA-N
XLogP3.37
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide?
The IUPAC name of N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide (CID 23775465) is N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide.
What is the SMILES notation for N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide?
The canonical SMILES for N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide is O=C(Nc1ccccc1)c1nc2ccccc2n1C(=O)c1ccccn1.
What is the InChIKey of N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide?
The InChIKey is FHEOFKCOPFIGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-19(22-14-8-2-1-3-9-14)18-23-15-10-4-5-12-17(15)24(18)20(26)16-11-6-7-13-21-16/h1-13H,(H,22,25).
What are the key properties of N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide?
N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(pyridine-2-carbonyl)benzimidazole-2-carboxamide is sourced from PubChem (CID 23775465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).