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

C11H8ClN3O3 — CID 959629

IUPAC4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H8ClN3O3/c12-6-1-3-7(4-2-6)15-10(16)8-9(11(17)18)14-5-13-8/h1-5H,(H,13,14)(H,15,16)(H,17,18)
InChIKeyKZUVMGZERBVEQI-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.01
Rot. Bonds3

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

4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 959629) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID959629
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H8ClN3O3/c12-6-1-3-7(4-2-6)15-10(16)8-9(11(17)18)14-5-13-8/h1-5H,(H,13,14)(H,15,16)(H,17,18)
InChIKeyKZUVMGZERBVEQI-UHFFFAOYSA-N
XLogP2.01
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid (CID 959629) is 4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid is O=C(Nc1ccc(Cl)cc1)c1nc[nH]c1C(=O)O.
What is the InChIKey of 4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is KZUVMGZERBVEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c12-6-1-3-7(4-2-6)15-10(16)8-9(11(17)18)14-5-13-8/h1-5H,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 265.66 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 959629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).