Cas no 23996-36-3 (2H-Benzimidazol-2-one,1,3-dihydro-1-methyl-3-phenyl-)

2H-Benzimidazol-2-one,1,3-dihydro-1-methyl-3-phenyl- structure
23996-36-3 structure
Product Name:2H-Benzimidazol-2-one,1,3-dihydro-1-methyl-3-phenyl-
CAS No:23996-36-3
MF:C14H12N2O
MW:224.257883071899
CID:258152
PubChem ID:212244
Update Time:2025-04-19

2H-Benzimidazol-2-one,1,3-dihydro-1-methyl-3-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 2H-Benzimidazol-2-one,1,3-dihydro-1-methyl-3-phenyl-
    • 1-methyl-3-phenyl-1,3-dihydro-benzoimidazol-2-one
    • 23996-36-3
    • 5-24-02-00338 (Beilstein Handbook Reference)
    • SCHEMBL6362809
    • 2H-Benzimidazol-2-one, 1,3-dihydro-1-methyl-3-phenyl-
    • 1-Methyl-3-phenyl-1,3-dihydro-2H-benzo[d]imidazol-2-one
    • 1,3-Dihydro-1-methyl-3-phenyl-2H-benzimidazol-2-one
    • BRN 1576119
    • DTXSID50178723
    • Inchi: 1S/C14H12N2O/c1-15-12-9-5-6-10-13(12)16(14(15)17)11-7-3-2-4-8-11/h2-10H,1H3
    • InChI Key: VMKCXIJBSNPXCB-UHFFFAOYSA-N
    • SMILES: O=C1N(C)C2C=CC=CC=2N1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 224.09506
  • Monoisotopic Mass: 224.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 299
  • 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: 3
  • Topological Polar Surface Area: 23.6?2

Experimental Properties

  • Density: 1.236
  • Boiling Point: 360.5°C at 760 mmHg
  • Flash Point: 160°C
  • Refractive Index: 1.643
  • PSA: 23.55
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