Cas no 260050-43-9 (1H-Imidazole, 5-heptyl-)

1H-Imidazole, 5-heptyl- structure
1H-Imidazole, 5-heptyl- structure
Product Name:1H-Imidazole, 5-heptyl-
CAS No:260050-43-9
MF:C10H18N2
MW:166.263322353363
CID:247248
PubChem ID:45120998
Update Time:2025-04-19

1H-Imidazole, 5-heptyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole, 5-heptyl-
    • 5-heptyl-1H-imidazole
    • 260050-43-9
    • DTXSID30669104
    • SCHEMBL2696007
    • Inchi: 1S/C10H18N2/c1-2-3-4-5-6-7-10-8-11-9-12-10/h8-9H,2-7H2,1H3,(H,11,12)
    • InChI Key: DGQRKRRQEVBDKW-UHFFFAOYSA-N
    • SMILES: N1C=NC=C1CCCCCCC

Computed Properties

  • Exact Mass: 166.147
  • Monoisotopic Mass: 166.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 104
  • 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
  • Topological Polar Surface Area: 28.7A^2
  • XLogP3: 3.4
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