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

C11H8BrN3O3 — CID 598834

IUPAC4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(Nc1ccc(Br)cc1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H8BrN3O3/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)
InChIKeyFWBMFWBYXAHYAZ-UHFFFAOYSA-N
MW310.11 g/mol
LogP2.12
Rot. Bonds3

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

4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 598834) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID598834
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC Name4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(Nc1ccc(Br)cc1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C11H8BrN3O3/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)
InChIKeyFWBMFWBYXAHYAZ-UHFFFAOYSA-N
XLogP2.12
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(phenylcarbamoyl)-1H-imidazole-4-carboxylate
CID 564878
ethyl 4-[(4-fluorophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 959599
5-Phenylcarbamoyl-3H-imidazole-4-carboxylic acid
CID 564859
5-(4-Amino-phenylcarbamoyl)-3H-imidazole-4-carboxylic acid
CID 3132734
Bas 01557661
CID 784642
5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid
CID 565699
4-[(2-benzoyl-4-bromo-phenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 3577238
methyl 4-[(4-fluorophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 72165113
5-(4-Chloro-phenylcarbamoyl)-3H-imidazole-4-carboxylic acid
CID 959629
2-(o-Bromo)phenyl-4,5-imidazole dicarboxylic acid
CID 141478735
4-(4-Trifluoromethylphenylaminocarbonyl)-imidazole-5-carboxylic acid
CID 595223
methyl 4-[(4-amino-3-fluorophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 118423941

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid (CID 598834) is 4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid is O=C(Nc1ccc(Br)cc1)c1nc[nH]c1C(=O)O.
What is the InChIKey of 4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is FWBMFWBYXAHYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3/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-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 310.11 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 598834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).