Cas no 832099-53-3 (1H-Benzimidazole-4-carboxylic acid, 1-(1-methylethyl)-)

1H-Benzimidazole-4-carboxylic acid, 1-(1-methylethyl)- structure
832099-53-3 structure
Product Name:1H-Benzimidazole-4-carboxylic acid, 1-(1-methylethyl)-
CAS No:832099-53-3
MF:C11H12N2O2
MW:204.225182533264
CID:676561
PubChem ID:58765577
Update Time:2025-04-19

1H-Benzimidazole-4-carboxylic acid, 1-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-4-carboxylic acid, 1-(1-methylethyl)-
    • 1-propan-2-ylbenzimidazole-4-carboxylic acid
    • SCHEMBL4180048
    • KS-10672
    • 1-(propan-2-yl)-1H-1,3-benzodiazole-4-carboxylic acid
    • 1-(Propan-2-yl)-1H-benzimidazole-4-carboxylic acid
    • DTXSID80729904
    • 832099-53-3
    • Inchi: 1S/C11H12N2O2/c1-7(2)13-6-12-10-8(11(14)15)4-3-5-9(10)13/h3-7H,1-2H3,(H,14,15)
    • InChI Key: STXPNSPVZQVSMN-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC2=C1N=CN2C(C)C)=O

Computed Properties

  • Exact Mass: 204.089877630g/mol
  • Monoisotopic Mass: 204.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 255
  • 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: 1.7
  • Topological Polar Surface Area: 55.1?2

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