Cas no 59106-05-7 (5-(Bicyclo[2.2.2]octan-2-yl)-1H-imidazole)

5-(Bicyclo[2.2.2]octan-2-yl)-1H-imidazole structure
59106-05-7 structure
Product Name:5-(Bicyclo[2.2.2]octan-2-yl)-1H-imidazole
CAS No:59106-05-7
MF:C11H16N2
MW:176.258142471313
CID:2833966
PubChem ID:12369713
Update Time:2025-04-21

5-(Bicyclo[2.2.2]octan-2-yl)-1H-imidazole Chemical and Physical Properties

Names and Identifiers

    • 59106-05-7
    • DTXSID70494755
    • 5-(Bicyclo[2.2.2]octan-2-yl)-1H-imidazole
    • Inchi: 1S/C11H16N2/c1-3-9-4-2-8(1)5-10(9)11-6-12-7-13-11/h6-10H,1-5H2,(H,12,13)
    • InChI Key: DMGQFDXQHBHLMF-UHFFFAOYSA-N
    • SMILES: N1C=NC=C1C1CC2CCC1CC2

Computed Properties

  • Exact Mass: 176.131348519Da
  • Monoisotopic Mass: 176.131348519Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 185
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 28.7?2
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