Basic information
- CAS
361393-66-0- Standard SMILES
O=C(NCc1ccc(OC(F)(F)F)cc1)C1CCc2nc[nH]c2C1- InChIKey
ZZZQTUNLUMXFPA-UHFFFAOYSA-N- Molecular formula
- C16H16F3N3O2
- Average molar mass
- 339.31 g/mol
- Monoisotopic mass
- 339.11946125
Names & identifiers
- Preferred name
- N-(4-(trifluoromethoxy)benzyl)-4,5,6,7-tetrahydro-1H-benzo[d]imidazole-5-carboxamide
- IUPAC
- N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
Names & synonyms
361393-66-04,5,6,7-Tetrahydro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-benzimidazole-6-carboxamideN-(4-(trifluoromethoxy)benzyl)-4,5,6,7-tetrahydro-1H-benzo[d]imidazole-5-carboxamideSCHEMBL6849619ZZZQTUNLUMXFPA-UHFFFAOYSA-NDTXSID401124338AKOS025321000F6492-03631H-Benzimidazole-6-carboxamide, 4,5,6,7-tetrahydro-N-[[4-(trifluoromethoxy)phenyl]methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamideN-{[4-(Trifluoromethoxy)phenyl]methyl}-4,5,6,7-tetrahydro-1H-benzimidazole-6-carboxamideN-{[4-(trifluoromethoxy)phenyl]methyl}-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxamide
Database identifiers
- CAS
361393-66-0- PubChem CID
- 22962016
- DTXSID
DTXSID401124338
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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