4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid

C11H9N3O3 — CID 564859

IUPAC4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(Nc1ccccc1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H9N3O3/c15-10(14-7-4-2-1-3-5-7)8-9(11(16)17)13-6-12-8/h1-6H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyJRYSJLPNUUHTER-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.36
Rot. Bonds3

About 4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid

4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid (PubChem CID 564859) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid
PubChem CID564859
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(Nc1ccccc1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H9N3O3/c15-10(14-7-4-2-1-3-5-7)8-9(11(16)17)13-6-12-8/h1-6H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyJRYSJLPNUUHTER-UHFFFAOYSA-N
XLogP1.36
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid (CID 564859) is 4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid is O=C(Nc1ccccc1)c1nc[nH]c1C(=O)O.
What is the InChIKey of 4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is JRYSJLPNUUHTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-10(14-7-4-2-1-3-5-7)8-9(11(16)17)13-6-12-8/h1-6H,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid?
4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylcarbamoyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 564859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).