2-[4-(Trifluoromethyl)phenyl]-1H-imidazole-5-ethanamine
Basic information
- CAS
162049-84-5- Standard SMILES
NCCc1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1- InChIKey
NUVPBVYDEAMCED-UHFFFAOYSA-N- Molecular formula
- C12H12F3N3
- Average molar mass
- 255.24 g/mol
- Monoisotopic mass
- 255.09833188
Names & identifiers
- Preferred name
- 2-[4-(Trifluoromethyl)phenyl]-1H-imidazole-5-ethanamine
- IUPAC
- 2-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine
Names & synonyms
CHEMBL233592-[4-(Trifluoromethyl)phenyl]-1H-imidazole-5-ethanamineDTXSID001203742162049-84-52-{2-[4-(Trifluoromethyl)phenyl]-1H-imidazol-5-yl}ethan-1-amine
Database identifiers
- CAS
162049-84-5- PubChem CID
- 10244073
- DTXSID
DTXSID001203742- ChEMBL
CHEMBL23359
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
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Compound notes
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