1-(2-Ethoxy-5-methylphenyl)sulfonylbenzimidazole
Basic information
- CAS
717865-53-7- Standard SMILES
CCOc1ccc(C)cc1S(=O)(=O)n1cnc2ccccc21- InChIKey
GXRKYVIPXOFNTA-UHFFFAOYSA-N- Molecular formula
- C16H16N2O3S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.08816355
Names & identifiers
- Preferred name
- 1-(2-Ethoxy-5-methylphenyl)sulfonylbenzimidazole
- IUPAC
- 1-(2-ethoxy-5-methylphenyl)sulfonylbenzimidazole
- English name
- 2-(1H-benzimidazol-1-ylsulfonyl)-4-methylphenyl ethyl ether
- Molecular formula
- C16H16N2O3S
- Molecular weight
- 316.37
Names & synonyms
717865-53-71-(2-ethoxy-5-methylphenyl)sulfonylbenzimidazole2-(1H-benzimidazol-1-ylsulfonyl)-4-methylphenyl ethyl ether1-(2-ethoxy-5-methylbenzenesulfonyl)-1H-1,3-benzodiazoleCBKinase1_010498CBKinase1_022898MLS001179097CHEMBL1329304DTXSID801321639HMS2821J03AKOS005140697SMR000477625
Show more names
1H-Benzimidazole, 1-[(2-ethoxy-5-methylphenyl)sulfonyl]-
ST51069792[(2-ethoxy-5-methylphenyl)sulfonyl]benzimidazoleAP-263/42911206SR-01000290042SR-01000290042-1BRD-K65979145-001-01-6Z10803765661-(2-Ethoxy-5-methylbenzene-1-sulfonyl)-1H-benzimidazole
Database identifiers
- CAS
717865-53-7- PubChem CID
- 850116
- DTXSID
DTXSID801321639- ChEMBL
CHEMBL1329304
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
Solubility1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 529.9 · 529.9±60.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 0.4 · 0.40±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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