Cas no 16405-85-9 (1H-Benzimidazole,6-chloro-2-(2-propen-1-yl)-)

1H-Benzimidazole,6-chloro-2-(2-propen-1-yl)- structure
16405-85-9 structure
Product Name:1H-Benzimidazole,6-chloro-2-(2-propen-1-yl)-
CAS No:16405-85-9
MF:C10H9ClN2
MW:192.644860982895
CID:121646
PubChem ID:45078575
Update Time:2025-04-18

1H-Benzimidazole,6-chloro-2-(2-propen-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole,6-chloro-2-(2-propen-1-yl)-
    • Benzimidazole, 2-allyl-5-chloro- (8CI)
    • 16405-85-9
    • Benzimidazole,2-allyl-5-chloro-(8ci)
    • DTXSID501262757
    • SCHEMBL4563435
    • SCHEMBL9426469
    • 6-Chloro-2-(2-propen-1-yl)-1H-benzimidazole
    • 2-Allyl-5-chloro-1H-benzo[d]imidazole
    • Inchi: 1S/C10H9ClN2/c1-2-3-10-12-8-5-4-7(11)6-9(8)13-10/h2,4-6H,1,3H2,(H,12,13)
    • InChI Key: ZRCBMJMQRFPGQT-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2=C(C=1)NC(CC=C)=N2

Computed Properties

  • Exact Mass: 192.04557
  • Monoisotopic Mass: 192.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 195
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 28.7A^2

Experimental Properties

  • PSA: 28.68
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