2-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl 4-methylbenzenesulfonate
Basic information
- CAS
84396-05-4- Standard SMILES
Cc1ccc(S(=O)(=O)OCCOc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1- InChIKey
WXHITEPSFKPLNW-UHFFFAOYSA-N- Molecular formula
- C22H20N2O4S
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.1143783
Names & identifiers
- Preferred name
- 2-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl 4-methylbenzenesulfonate
- IUPAC
- 2-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl 4-methylbenzenesulfonate
Names & synonyms
84396-05-42-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl 4-methylbenzenesulfonateNSC303243DTXSID503164062-[4-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]-1H-benzoimidazoleNSC-303243DS-0038652-[4-(1H-1,3-Benzimidazol-2-yl)phenoxy]ethyl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
84396-05-4- PubChem CID
- 327563
- DTXSID
DTXSID50316406
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 607
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Compound notes
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