Cas no 866959-52-6 (1H-Imidazole, 1-(1-pyrenylmethyl)-)

1H-Imidazole, 1-(1-pyrenylmethyl)- structure
866959-52-6 structure
Product Name:1H-Imidazole, 1-(1-pyrenylmethyl)-
CAS No:866959-52-6
MF:C20H14N2
MW:282.338564395905
CID:582562
PubChem ID:71406055
Update Time:2025-04-19

1H-Imidazole, 1-(1-pyrenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole, 1-(1-pyrenylmethyl)-
    • 1-(pyren-1-ylmethyl)imidazole
    • 866959-52-6
    • DTXSID30826674
    • 1-[(PYREN-1-YL)METHYL]-1H-IMIDAZOLE
    • Inchi: 1S/C20H14N2/c1-2-14-4-5-16-6-7-17(12-22-11-10-21-13-22)18-9-8-15(3-1)19(14)20(16)18/h1-11,13H,12H2
    • InChI Key: JOMOBSFEGMBRGY-UHFFFAOYSA-N
    • SMILES: N1(C=NC=C1)CC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C43

Computed Properties

  • Exact Mass: 282.115698455g/mol
  • Monoisotopic Mass: 282.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 2
  • Complexity: 409
  • 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: 4.7
  • Topological Polar Surface Area: 17.8?2
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