2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide

C14H12N4O — CID 10729476

IUPAC2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(N)cc3)nc12
InChIInChI=1S/C14H12N4O/c15-9-6-4-8(5-7-9)14-17-11-3-1-2-10(13(16)19)12(11)18-14/h1-7H,15H2,(H2,16,19)(H,17,18)
InChIKeyCORDOWZJZKLEHO-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.91
Rot. Bonds2

About 2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide

2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 10729476) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide
PubChem CID10729476
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(N)cc3)nc12
InChIInChI=1S/C14H12N4O/c15-9-6-4-8(5-7-9)14-17-11-3-1-2-10(13(16)19)12(11)18-14/h1-7H,15H2,(H2,16,19)(H,17,18)
InChIKeyCORDOWZJZKLEHO-UHFFFAOYSA-N
XLogP1.91
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide (CID 10729476) is 2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(N)cc3)nc12.
What is the InChIKey of 2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is CORDOWZJZKLEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-9-6-4-8(5-7-9)14-17-11-3-1-2-10(13(16)19)12(11)18-14/h1-7H,15H2,(H2,16,19)(H,17,18).
What are the key properties of 2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide?
2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10729476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).