Basic information
- Standard SMILES
COc1ccnc(CSc2nc3c(C(F)(F)F)cccc3[nH]2)c1- InChIKey
YSEUKMPFXQLNTI-UHFFFAOYSA-N- Molecular formula
- C15H12F3N3OS
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 339.06531767
Names & identifiers
- Preferred name
- 4-trifluoromethyl-2-[(4-methoxy-2-pyridylmethyl)thio]-(1H)-benzimidazole
- IUPAC
- 2-[(4-methoxy-2-pyridinyl)methylsulfanyl]-4-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
4-trifluoromethyl-2-[(4-methoxy-2-pyridylmethyl)thio]-(1H)-benzimidazoleSCHEMBL11094008
Database identifiers
- PubChem CID
- 10020071
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 399
Related reactions
4 records
Compound notes
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