Basic information
- Standard SMILES
COc1ccnc(CSc2nc3ccc(C(F)(F)F)cc3[nH]2)c1OC- InChIKey
DPNSZWJIKRFPMQ-UHFFFAOYSA-N- Molecular formula
- C16H14F3N3O2S
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.07588236
Names & identifiers
- Preferred name
- 2-[(3,4-Dimethoxypyrid-2-yl)methylthio]-5-trifluoromethylbenzimidazole
- IUPAC
- 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
2-[(3,4-dimethoxypyrid-2-yl)methylthio]-5-trifluoromethylbenzimidazoleSCHEMBL9834850SCHEMBL9834859
Database identifiers
- PubChem CID
- 20142796
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
Related reactions
2 records
Compound notes
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