N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide

C15H12N4O2 — CID 110468823

IUPACN-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H12N4O2/c16-13(20)9-5-7-10(8-6-9)17-15(21)14-18-11-3-1-2-4-12(11)19-14/h1-8H,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyNVWCBFPHWSCLTM-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.91
Rot. Bonds3

About N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide

N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide (PubChem CID 110468823) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide
PubChem CID110468823
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H12N4O2/c16-13(20)9-5-7-10(8-6-9)17-15(21)14-18-11-3-1-2-4-12(11)19-14/h1-8H,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyNVWCBFPHWSCLTM-UHFFFAOYSA-N
XLogP1.91
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide (CID 110468823) is N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide is NC(=O)c1ccc(NC(=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide?
The InChIKey is NVWCBFPHWSCLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-13(20)9-5-7-10(8-6-9)17-15(21)14-18-11-3-1-2-4-12(11)19-14/h1-8H,(H2,16,20)(H,17,21)(H,18,19).
What are the key properties of N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide?
N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 110468823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).