Cas no 101226-46-4 ([2,2'-Bi-1H-imidazole]-4-carboxaldehyde)

[2,2'-Bi-1H-imidazole]-4-carboxaldehyde structure
101226-46-4 structure
Product Name:[2,2'-Bi-1H-imidazole]-4-carboxaldehyde
CAS No:101226-46-4
MF:C7H6N4O
MW:162.148740291595
CID:3553849
PubChem ID:13600239
Update Time:2025-04-22

[2,2'-Bi-1H-imidazole]-4-carboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • [2,2'-Bi-1H-imidazole]-4-carboxaldehyde
    • [2,2'-Bi-1H-imidazole]-5-carboxaldehyde
    • 101226-46-4
    • 1H,1'H-[2,2'-biimidazole]-5-carbaldehyde
    • CHEMBL322708
    • Inchi: 1S/C7H6N4O/c12-4-5-3-10-7(11-5)6-8-1-2-9-6/h1-4H,(H,8,9)(H,10,11)
    • InChI Key: GNOLVJQMXGPLEJ-UHFFFAOYSA-N
    • SMILES: C1(C2NC=CN=2)NC(C=O)=CN=1

Computed Properties

  • Exact Mass: 162.05416083Da
  • Monoisotopic Mass: 162.05416083Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 175
  • 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: -0.3
  • Topological Polar Surface Area: 74.4?2
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