Cas no 64464-46-6 (1H-Imidazole-4-acetonitrile, 1-(triphenylmethyl)-)

1H-Imidazole-4-acetonitrile, 1-(triphenylmethyl)- structure
64464-46-6 structure
Product Name:1H-Imidazole-4-acetonitrile, 1-(triphenylmethyl)-
CAS No:64464-46-6
MF:C24H19N3
MW:349.427765130997
CID:1678870
PubChem ID:19099310
Update Time:2025-04-21

1H-Imidazole-4-acetonitrile, 1-(triphenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-4-acetonitrile, 1-(triphenylmethyl)-
    • (1-trityl-1H-imidazol-4-yl)acetonitrile
    • 1-Tritylimidazole-4-acetonitrile
    • SCHEMBL4009153
    • (1-trityl-1H-imidazol-4-yl)-acetonitrile
    • DB-214658
    • OMKOVZVQIKCURG-UHFFFAOYSA-N
    • 64464-46-6
    • Inchi: 1S/C24H19N3/c25-17-16-23-18-27(19-26-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16H2
    • InChI Key: OMKOVZVQIKCURG-UHFFFAOYSA-N
    • SMILES: N1(C=NC(CC#N)=C1)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 349.15807
  • Monoisotopic Mass: 349.157897619g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 5
  • Complexity: 457
  • 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: 4.5
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • PSA: 41.61
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