Basic information
- CAS
83003-97-8- Standard SMILES
CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1- InChIKey
DXLUUMMINGDWEA-UHFFFAOYSA-N- Molecular formula
- C10H8F3N3O
- Average molar mass
- 243.18 g/mol
- Monoisotopic mass
- 243.06194637
Names & identifiers
- Preferred name
- Acetamide, N-(2-(trifluoromethyl)-5-benzimidazolyl)-
- IUPAC
- N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamide
- English name
- N-[2-(trifluoromethyl)-3H-benzoimidazol-5-yl]acetamide
- Molecular formula
- C10H8F3N3O
- Molecular weight
- 243.19
Names & synonyms
83003-97-8ACETAMIDE, N-(2-(TRIFLUOROMETHYL)-5-BENZIMIDAZOLYL)-N-(2-(Trifluoromethyl)-5-benzimidazolyl)acetamideDTXSID40232121RefChem:315049DTXCID40154612N-[2-(TRIFLUOROMETHYL)-3H-BENZOIMIDAZOL-5-YL]ACETAMIDEN-[2-(trifluoromethyl)-1H-benzimidazol-5-yl]acetamideN-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]acetamideSCHEMBL17518791DXLUUMMINGDWEA-UHFFFAOYSA-NSTK931916
Show more names
5-acetamido-2-(trifluoromethyl)benzimidazoleAcetamide, N-[2-(trifluoromethyl)-1H-benzimidazol-6-yl]-
AKOS005661397AKOS023171086AG-205/33689031SR-01000202276SR-01000202276-1N-(2-(trifluoromethyl)-1H-benzo[d]imidazol-6-yl)acetamideN-[2-(Trifluoromethyl)-1H-1,3-benzimidazol-6-yl]acetamide
Database identifiers
- CAS
83003-97-8- PubChem CID
- 54957
- DTXSID
DTXSID40232121
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 294 °C · 294 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 456.7 · 456.7±45.0 °C(Predicted)
- Density
- 1.504 · 1.504±0.06 g/cm3(Predicted)
- pka
- 9.49 · 9.49±0.10(Predicted)
Chemistry & industry
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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