2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide

C19H14N4O — CID 44542366

IUPAC2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccn4)cc3)nc12
InChIInChI=1S/C19H14N4O/c20-18(24)14-4-3-6-16-17(14)23-19(22-16)13-9-7-12(8-10-13)15-5-1-2-11-21-15/h1-11H,(H2,20,24)(H,22,23)
InChIKeyGTBYWKYWQWSPTR-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.39
Rot. Bonds3

About 2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide

2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 44542366) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
PubChem CID44542366
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccn4)cc3)nc12
InChIInChI=1S/C19H14N4O/c20-18(24)14-4-3-6-16-17(14)23-19(22-16)13-9-7-12(8-10-13)15-5-1-2-11-21-15/h1-11H,(H2,20,24)(H,22,23)
InChIKeyGTBYWKYWQWSPTR-UHFFFAOYSA-N
XLogP3.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide (CID 44542366) is 2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccn4)cc3)nc12.
What is the InChIKey of 2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is GTBYWKYWQWSPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c20-18(24)14-4-3-6-16-17(14)23-19(22-16)13-9-7-12(8-10-13)15-5-1-2-11-21-15/h1-11H,(H2,20,24)(H,22,23).
What are the key properties of 2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide?
2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 44542366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).