1-Ethyl-2-methyl-7-nitro-5-(trifluoromethyl)-1H-benzimidazole
Basic information
- CAS
53901-18-1- Standard SMILES
CCn1c(C)nc2cc(C(F)(F)F)cc([N+](=O)[O-])c21- InChIKey
WVLLHGYSLBENOF-UHFFFAOYSA-N- Molecular formula
- C11H10F3N3O2
- Average molar mass
- 273.21 g/mol
- Monoisotopic mass
- 273.07251106
Names & identifiers
- Preferred name
- 1-Ethyl-2-methyl-7-nitro-5-(trifluoromethyl)-1H-benzimidazole
- IUPAC
- 1-ethyl-2-methyl-7-nitro-5-(trifluoromethyl)benzimidazole
Names & synonyms
53901-18-1NSC364069DTXSID003207701-Ethyl-2-methyl-7-nitro-5-(trifluoromethyl)-1H-benzimidazoleNSC-364069DS-0028341-ethyl-2-methyl-7-nitro-5-(trifluoromethyl)benzoimidazole1-Ethyl-2-methyl-7-nitro-5-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
53901-18-1- PubChem CID
- 339118
- DTXSID
DTXSID00320770
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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