Basic information
- Standard SMILES
COc1ccnc(CS(=O)c2nc3cc(-n4ccnc4)c(F)cc3[nH]2)c1- InChIKey
GACWPNKZVZEMGD-UHFFFAOYSA-N- Molecular formula
- C17H14FN5O2S
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.08522404
Names & identifiers
- Preferred name
- 2-[[(4-Methoxy)pyridin-2-yl]methylsulfinyl]-6-fluoro-5-(imidazol-1-yl)-1H-benzimidazole
- IUPAC
- 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
Names & synonyms
SCHEMBL8069345GACWPNKZVZEMGD-UHFFFAOYSA-N2-[[(4-Methoxy)pyridin-2-yl]methylsulfinyl]-6-fluoro-5-(imidazol-1-yl)-1H-benzimidazole
Database identifiers
- PubChem CID
- 53827515
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 516
Related reactions
2 records
Compound notes
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