Bas 01557661
Basic information
- CAS
575497-25-5- Standard SMILES
O=C(Nc1ccc(F)cc1)c1nc[nH]c1C(=O)O- InChIKey
VRQZJKLTBLHHHP-UHFFFAOYSA-N- Molecular formula
- C11H8FN3O3
- Average molar mass
- 249.2 g/mol
- Monoisotopic mass
- 249.05496929
Names & identifiers
- Preferred name
- Bas 01557661
- IUPAC
- 4-[(4-fluorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
- English name
- 1H-Imidazole-4-carboxylicacid,5-[[(4-fluorophenyl)amino]carbonyl]-(9CI)
- Molecular formula
- C11H8FN3O3
- Molecular weight
- 249.2
Names & synonyms
575497-25-5BAS 01557661DTXSID20354835RefChem:320932DTXCID503058955-(4-Fluoro-phenylcarbamoyl)-3H-imidazole-4-carboxylic acid4-((4-fluorophenyl)carbamoyl)-1H-imidazole-5-carboxylic acid4-[(4-fluorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acidCHEMBL17039225-[(4-fluorophenyl)carbamoyl]-3H-imidazole-4-carboxylic acidHMS2877P04MLS001212999
Show more names
1H-Imidazole-5-carboxylic acid, 4-[[(4-fluorophenyl)amino]carbonyl]-1H-Imidazole-4-carboxylicacid,5-[[(4-fluorophenyl)amino]carbonyl]-(9CI)
BDBM504932065-[[(4-FLUOROPHENYL)AMINO]CARBONYL]-1H-IMIDAZOLE-4-CARBOXYLIC ACIDAKOS000647234PD145057SMR000516930ST50009937SR-01000318810SR-01000318810-1
Database identifiers
- CAS
575497-25-5- PubChem CID
- 784642
- DTXSID
DTXSID20354835- ChEMBL
CHEMBL1703922
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Experimental & physicochemical properties
Solubility>37.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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