5-Aminocarbonyl-2-(2'-methoxy-4'-methanesulfonyloxy-phenyl)benzimidazole
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Basic information
- Standard SMILES
COc1cc(OS(C)(=O)=O)ccc1-c1nc2ccc(C(N)=O)cc2[nH]1- InChIKey
XGKUIGRGDCUUBI-UHFFFAOYSA-N- Molecular formula
- C16H15N3O5S
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.07324176
Names & identifiers
- Preferred name
- 5-Aminocarbonyl-2-(2'-methoxy-4'-methanesulfonyloxy-phenyl)benzimidazole
- IUPAC
- [4-(6-carbamoyl-1H-benzimidazol-2-yl)-3-methoxyphenyl] methanesulfonate
Names & synonyms
SCHEMBL10748970XGKUIGRGDCUUBI-UHFFFAOYSA-N5-Aminocarbonyl-2-(2'-methoxy-4'-methanesulfonyloxy-phenyl)-benzimidazole5-Aminocarbonyl-2-(2'-methoxy-4'-methanesulfonyloxy-phenyl)benzimidazole
Database identifiers
- PubChem CID
- 20184564
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 593
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Related reactions
3 records
Compound notes
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