Cas no 183500-37-0 (Benzonitrile,4-[(5-formyl-1H-imidazol-1-yl)methyl]-)

Benzonitrile,4-[(5-formyl-1H-imidazol-1-yl)methyl]- structure
183500-37-0 structure
Product Name:Benzonitrile,4-[(5-formyl-1H-imidazol-1-yl)methyl]-
CAS No:183500-37-0
MF:C12H9N3O
MW:211.219362020493
CID:136791
PubChem ID:10632289
Update Time:2025-04-19

Benzonitrile,4-[(5-formyl-1H-imidazol-1-yl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-[(5-formyl-1H-imidazol-1-yl)methyl]-
    • 4-((5-formyl-1H-imidazol-1-yl)methyl)benzonitrile
    • 4-(5-formyl-imidazol-1-ylmethyl)-benzonitrile
    • 4-[(5-formylimidazol-1-yl)methyl]benzonitrile
    • [3-(4-cyanobenzyl)-3-H-imidazol-4-yl]-carboxaldehyde
    • 1-(4-Cyanobenzyl)-5-formyl-1H-imidazole
    • 1-(4-cyanobenzyl)-5-formylimidazole
    • 1-(4-cyanobenzyl)-5-imidazole-carboxaldehyde
    • 1-(4-Cyanobenzyl)-5-imidazolecarboxaldehyde
    • 4-(5-formyl-imidazol-1-ylmethyl)benzonitrile
    • AG-E-33175
    • CHEBI:704432
    • CHEMBL611680
    • CTK4D8501
    • DNC010511
    • KB-238611
    • AKOS015911901
    • 4-(5-formylimidazol-1-ylmethyl)benzonitrile
    • 1 -(4-Cyanobenzyl)-5-imidazolecarboxaldehyde
    • 1-(p-Cyanobenzyl)imidazole-5-carboxaldehyde
    • (R)-3-METHYL3,4-DIHYDROISOQUINOLINEHYDROCHLORIDE
    • AMUOEEKBBOOOCV-UHFFFAOYSA-N
    • 1-(p-Cyanobenzyl)-5-imidazolecarboxaldehyde
    • 1-(4-Cyanobenzyl)-5-imidazole carboxaldehyde
    • CHEMBL-611680
    • 183500-37-0
    • 4-((5-Methanoylimidazol-1-yl)methyl)benzenecarbonitrile
    • Benzonitrile, 4-((5-formyl-1H-imidazol-1-yl)methyl)-
    • 4-[(5-formyl-1H-imidazol-1-yl)methyl]benzonitrile
    • 1-(4-Cyanobenzyl)imidazole-5-carboxaldehyde
    • UNII-63M9BY29L9
    • DTXSID30442752
    • BDBM50307239
    • PD178981
    • 63M9BY29L9
    • FT-0714561
    • SCHEMBL1064258
    • DA-08982
    • MDL： MFCD06657146
    • Inchi： 1S/C12H9N3O/c13-5-10-1-3-11(4-2-10)7-15-9-14-6-12(15)8-16/h1-4,6,8-9H,7H2
    • InChI Key： AMUOEEKBBOOOCV-UHFFFAOYSA-N
    • SMILES： O=CC1=CN=CN1CC1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 211.07500
  • Monoisotopic Mass: 211.074561919g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 288
  • 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: 1.1
  • Topological Polar Surface Area: 58.7?2

Experimental Properties

  • PSA: 58.68000
  • LogP: 1.61558

Benzonitrile,4-[(5-formyl-1H-imidazol-1-yl)methyl]- Related Literature

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