2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide

C21H16N4O2 — CID 10132912

IUPAC2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C21H16N4O2/c22-19(26)15-10-11-17-18(12-15)25-20(24-17)13-6-8-14(9-7-13)21(27)23-16-4-2-1-3-5-16/h1-12H,(H2,22,26)(H,23,27)(H,24,25)
InChIKeyDBXRQSUMLUDDFF-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.58
Rot. Bonds4

About 2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10132912) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10132912
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C21H16N4O2/c22-19(26)15-10-11-17-18(12-15)25-20(24-17)13-6-8-14(9-7-13)21(27)23-16-4-2-1-3-5-16/h1-12H,(H2,22,26)(H,23,27)(H,24,25)
InChIKeyDBXRQSUMLUDDFF-UHFFFAOYSA-N
XLogP3.58
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 10132912) is 2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is DBXRQSUMLUDDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c22-19(26)15-10-11-17-18(12-15)25-20(24-17)13-6-8-14(9-7-13)21(27)23-16-4-2-1-3-5-16/h1-12H,(H2,22,26)(H,23,27)(H,24,25).
What are the key properties of 2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10132912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).