2-chloro-N-[1-(4-methoxybenzyl)-5,6-dimethyl-1H-1,3-benzimidazol-4-yl]benzenesulfonamide
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Basic information
- CAS
338954-93-1- Standard SMILES
COc1ccc(Cn2cnc3c(NS(=O)(=O)c4ccccc4Cl)c(C)c(C)cc32)cc1- InChIKey
RZWPFODMLXWZDZ-UHFFFAOYSA-N- Molecular formula
- C23H22ClN3O3S
- Average molar mass
- 456 g/mol
- Monoisotopic mass
- 455.1070404
Names & identifiers
- Preferred name
- 2-chloro-N-[1-(4-methoxybenzyl)-5,6-dimethyl-1H-1,3-benzimidazol-4-yl]benzenesulfonamide
- IUPAC
- 2-chloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamide
- English name
- 2-CHLORO-N-[1-(4-METHOXYBENZYL)-5,6-DIMETHYL-1H-1,3-BENZIMIDAZOL-4-YL]BENZENESULFONAMIDE
- Molecular formula
- C23H22ClN3O3S
- Molecular weight
- 455.96
Names & synonyms
338954-93-12-chloro-N-[1-(4-methoxybenzyl)-5,6-dimethyl-1H-1,3-benzimidazol-4-yl]benzenesulfonamide2-chloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-4-yl]benzenesulfonamideOprea1_196386AKOS0050951245J-362S2-Chloro-N-(1-(4-methoxybenzyl)-5,6-dimethyl-1H-benzo[d]imidazol-4-yl)benzenesulfonamide2-chloro-N-{1-[(4-methoxyphenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazol-4-yl}benzene-1-sulfonamideBenzenesulfonamide, 2-chloro-N-[1-[(4-methoxyphenyl)methyl]-5,6-dimethyl-1H-benzimidazol-4-yl]-
Database identifiers
- CAS
338954-93-1- PubChem CID
- 1479143
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 695
Physicochemical properties
- Boiling point
- 657.9 · 657.9±65.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 7.75 · 7.75±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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