Cas no 220495-77-2 (Methyl 1-Phenylbenzoimidazole-6-Carboxylate)

Methyl 1-Phenylbenzoimidazole-6-Carboxylate structure
220495-77-2 structure
Product Name:Methyl 1-Phenylbenzoimidazole-6-Carboxylate
CAS No:220495-77-2
MF:C15H12N2O2
MW:252.267983436584
MDL:MFCD13195708
CID:850757
PubChem ID:5328478
Update Time:2025-04-19

Methyl 1-Phenylbenzoimidazole-6-Carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-6-carboxylic acid, 1-phenyl-, methyl ester
    • Methyl 1-phenylbenzoimidazole-6-carboxylate
    • 1-Phenylbenzimidazole deriv. 80
    • Methyl 1-[Phenylbenzoimidazole-6-carboxylate
    • 220495-77-2
    • AKOS015840723
    • SCHEMBL7975748
    • BS-27807
    • BDBM3863
    • MFCD13195708
    • methyl 1-phenyl-1H-1,3-benzodiazole-6-carboxylate
    • CHEMBL359055
    • VIA49577
    • DB-370681
    • RIIGOZIXLFQUIQ-UHFFFAOYSA-N
    • Methyl 1-phenyl-1H-benzo[d]imidazole-6-carboxylate
    • methyl 3-phenylbenzimidazole-5-carboxylate
    • Methyl 1-Phenylbenzoimidazole-6-Carboxylate
    • MDL: MFCD13195708
    • Inchi: 1S/C15H12N2O2/c1-19-15(18)11-7-8-13-14(9-11)17(10-16-13)12-5-3-2-4-6-12/h2-10H,1H3
    • InChI Key: RIIGOZIXLFQUIQ-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC2=C(C=1)N(C=N2)C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 252.08996
  • Monoisotopic Mass: 252.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 328
  • 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: 44.1?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 420.9±37.0 °C at 760 mmHg
  • Flash Point: 208.4±26.5 °C
  • PSA: 44.12
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

Methyl 1-Phenylbenzoimidazole-6-Carboxylate Security Information

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