5-Cyano-2-(2'-methoxy-4'-methanesulfonyloxy-phenyl)-benzimidazole
Basic information
- Standard SMILES
COc1cc(OS(C)(=O)=O)ccc1-c1nc2ccc(C#N)cc2[nH]1- InChIKey
VAVJPLBXLIGULW-UHFFFAOYSA-N- Molecular formula
- C16H13N3O4S
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- 5-Cyano-2-(2'-methoxy-4'-methanesulfonyloxy-phenyl)-benzimidazole
- IUPAC
- [4-(6-cyano-1H-benzimidazol-2-yl)-3-methoxyphenyl] methanesulfonate
Names & synonyms
SCHEMBL10744974VAVJPLBXLIGULW-UHFFFAOYSA-N5-Cyano-2-(2'-methoxy-4'-methanesulfonyloxy-phenyl)-benzimidazole
Database identifiers
- PubChem CID
- 20184528
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 596
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Related reactions
6 records
Compound notes
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