5-Methyl-2-(4-trifluoromethylphenyl)-3H-imidazole-4-carboxylic acid
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Basic information
- CAS
1260810-09-0- Standard SMILES
Cc1nc(-c2ccc(C(F)(F)F)cc2)[nH]c1C(=O)O- InChIKey
UWGVHVMPUHRUNY-UHFFFAOYSA-N- Molecular formula
- C12H9F3N2O2
- Average molar mass
- 270.21 g/mol
- Monoisotopic mass
- 270.06161202
Names & identifiers
- Preferred name
- 5-Methyl-2-(4-trifluoromethylphenyl)-3H-imidazole-4-carboxylic acid
- IUPAC
- 5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxylic acid
- English name
- 5-METHYL-2-(4-TRIFLUOROMETHYLPHENYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID
- Molecular formula
- C12H9F3N2O2
- Molecular weight
- 270.21
Names & synonyms
1260810-09-04-Methyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazole-5-carboxylic acid5-METHYL-2-(4-TRIFLUOROMETHYLPHENYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylic acid5-Methyl-2-(4-trifluoromethylphenyl)-3H-imidazole-4-carboxylicacid5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxylic acidSCHEMBL28158003MFCD08276075AKOS012176389SY3413761H-Imidazole-5-carboxylic acid, 4-methyl-2-[4-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
1260810-09-0- PubChem CID
- 53404403
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 466.3 · 466.3±45.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- pka
- 1.9 · 1.90±0.37(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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