[1-(Difluoromethyl)-1H-imidazol-2-yl]methyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoate
Basic information
- CAS
927565-11-5- Standard SMILES
O=C(OCc1nccn1C(F)F)c1ccccc1Nc1cccc(C(F)(F)F)c1- InChIKey
IKCPWBUWGHHYIU-UHFFFAOYSA-N- Molecular formula
- C19H14F5N3O2
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 411.10061751
Names & identifiers
- Preferred name
- [1-(Difluoromethyl)-1H-imidazol-2-yl]methyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoate
- IUPAC
- [1-(difluoromethyl)imidazol-2-yl]methyl 2-[3-(trifluoromethyl)anilino]benzoate
Names & synonyms
DTXSID001123619AKOS002587118[1-(Difluoromethyl)-1H-imidazol-2-yl]methyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoate927565-11-5Z237975812[1-(Difluoromethyl)-1H-imidazol-2-yl]methyl 2-[3-(trifluoromethyl)anilino]benzoate
Database identifiers
- CAS
927565-11-5- PubChem CID
- 16616971
- DTXSID
DTXSID001123619
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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