rac-(4S*,5R*)-2-(4-chloro-2-ethoxy-5-methanesulfonyl-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole
Basic information
- Standard SMILES
CCOc1cc(Cl)c(S(C)(=O)=O)cc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1- InChIKey
FXFKKOGWEQCGFW-UHFFFAOYSA-N- Molecular formula
- C26H25Cl3N2O3S
- Average molar mass
- 551.9 g/mol
- Monoisotopic mass
- 550.065147
Names & identifiers
- Preferred name
- rac-(4S*,5R*)-2-(4-chloro-2-ethoxy-5-methanesulfonyl-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole
- IUPAC
- 2-(4-chloro-2-ethoxy-5-methylsulfonylphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-1H-imidazole
Names & synonyms
SCHEMBL3548396FXFKKOGWEQCGFW-UHFFFAOYSA-Nrac-(4S*,5R*)-2-(4-chloro-2-ethoxy-5-methanesulfonyl-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole
Database identifiers
- PubChem CID
- 68685643
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 881
Related reactions
2 records
Compound notes
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