4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid

C11H10N4O3 — CID 3132734

IUPAC4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESNc1ccc(NC(=O)c2nc[nH]c2C(=O)O)cc1
InChIInChI=1S/C11H10N4O3/c12-6-1-3-7(4-2-6)15-10(16)8-9(11(17)18)14-5-13-8/h1-5H,12H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyHQARDVLSJLCFBA-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.94
Rot. Bonds3

About 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid

4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 3132734) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID3132734
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESNc1ccc(NC(=O)c2nc[nH]c2C(=O)O)cc1
InChIInChI=1S/C11H10N4O3/c12-6-1-3-7(4-2-6)15-10(16)8-9(11(17)18)14-5-13-8/h1-5H,12H2,(H,13,14)(H,15,16)(H,17,18)
InChIKeyHQARDVLSJLCFBA-UHFFFAOYSA-N
XLogP0.94
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid (CID 3132734) is 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid is Nc1ccc(NC(=O)c2nc[nH]c2C(=O)O)cc1.
What is the InChIKey of 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is HQARDVLSJLCFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-6-1-3-7(4-2-6)15-10(16)8-9(11(17)18)14-5-13-8/h1-5H,12H2,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 246.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 3132734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).