Cas no 31892-41-8 (1H-Benzimidazole-1-carbonitrile(9CI))

1H-Benzimidazole-1-carbonitrile(9CI) structure
31892-41-8 structure
Product Name:1H-Benzimidazole-1-carbonitrile(9CI)
CAS No:31892-41-8
MF:C8H5N3
MW:143.145400762558
CID:300138
PubChem ID:329764825
Update Time:2025-04-19

1H-Benzimidazole-1-carbonitrile(9CI) Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-1-carbonitrile(9CI)
    • 1H-Benzimidazole-1-carbonitrile
    • benzimidazole-1-carbonitrile
    • 1-Benzimidazolecarbonitrile(8CI)
    • 1-Cyanobenzimidazole
    • N-Cyanobenzimidazole
    • 1H-Benzo[d]imidazole-1-carbonitrile
    • 1H-1,3-benzodiazole-1-carbonitrile
    • 1-Cyanobenzimidazole, 96%
    • SCHEMBL626716
    • 31892-41-8
    • EN300-7697992
    • DTXSID70578044
    • MDL: MFCD18252669
    • Inchi: 1S/C8H5N3/c9-5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6H
    • InChI Key: SGCJHVTWXFWDOD-UHFFFAOYSA-N
    • SMILES: N1(C#N)C=NC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 143.04845
  • Monoisotopic Mass: 143.048347172g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 193
  • 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: 1.6
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • Melting Point: 98-106?°C
  • PSA: 41.61

1H-Benzimidazole-1-carbonitrile(9CI) Security Information

1H-Benzimidazole-1-carbonitrile(9CI) Pricemore >>

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