Cas no 89453-68-9 (1H-Benzimidazol-2-amine, 6-(1-phenyl-1-propenyl)-1-(phenylsulfonyl)-)

1H-Benzimidazol-2-amine, 6-(1-phenyl-1-propenyl)-1-(phenylsulfonyl)- structure
89453-68-9 structure
Product Name:1H-Benzimidazol-2-amine, 6-(1-phenyl-1-propenyl)-1-(phenylsulfonyl)-
CAS No:89453-68-9
MF:C22H19N3O2S
MW:389.470163583755
CID:599927
PubChem ID:70529524
Update Time:2025-04-19

1H-Benzimidazol-2-amine, 6-(1-phenyl-1-propenyl)-1-(phenylsulfonyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazol-2-amine, 6-(1-phenyl-1-propenyl)-1-(phenylsulfonyl)-
    • 1-(benzenesulfonyl)-6-(1-phenylprop-1-enyl)benzimidazol-2-amine
    • 1-(Benzenesulfonyl)-6-(1-phenylprop-1-en-1-yl)-1H-benzimidazol-2-amine
    • 89453-68-9
    • DTXSID00742312
    • Inchi: 1S/C22H19N3O2S/c1-2-19(16-9-5-3-6-10-16)17-13-14-20-21(15-17)25(22(23)24-20)28(26,27)18-11-7-4-8-12-18/h2-15H,1H3,(H2,23,24)
    • InChI Key: JXVQRTIMAXAYDJ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1)(N1C(N)=NC2C=CC(C(=CC)C3C=CC=CC=3)=CC1=2)(=O)=O

Computed Properties

  • Exact Mass: 389.11979803g/mol
  • Monoisotopic Mass: 389.11979803g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 660
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 5.8
  • Topological Polar Surface Area: 86.4?2
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