4-Difluoromethoxy-5,6-dimethoxy-2-[(4-methoxy-3-methyl-2-pyridyl)methylthio]-1H-benzimidazole
Basic information
- Standard SMILES
COc1ccnc(CSc2nc3c(OC(F)F)c(OC)c(OC)cc3[nH]2)c1C- InChIKey
SOKUGTOMLMJNCW-UHFFFAOYSA-N- Molecular formula
- C18H19F2N3O4S
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.10643359
Names & identifiers
- Preferred name
- 4-Difluoromethoxy-5,6-dimethoxy-2-[(4-methoxy-3-methyl-2-pyridyl)methylthio]-1H-benzimidazole
- IUPAC
- 4-(difluoromethoxy)-5,6-dimethoxy-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
Names & synonyms
4-Difluoromethoxy-5,6-dimethoxy-2-[(4-methoxy-3-methyl-2-pyridyl)methylthio]-1H-benzimidazoleSCHEMBL9687828
Database identifiers
- PubChem CID
- 20189601
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 496
Related reactions
2 records
Compound notes
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