Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc3c(c2)OCO3)cc1- InChIKey
DLXQYZVXNWRFSG-UHFFFAOYSA-N- Molecular formula
- C18H13F3N2O4S
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.05481256
Names & identifiers
- Preferred name
- 2-Benzo[1,3]dioxol-5-yl-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
Names & synonyms
CHEMBL2964472-Benzo[1,3]dioxol-5-yl-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole5-(1-(4-(methylsulfonyl)phenyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-benzodioxole5-[1-[4-(methylsulfonyl)phenyl]-4-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-benzodioxoleSCHEMBL3240359BDBM50057992
Database identifiers
- PubChem CID
- 10787698
- ChEMBL
CHEMBL296447- Nikkaji
- J1.383.546B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 661
Related reactions
2 records
Compound notes
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