Cas no 802044-51-5 (1H-Benzimidazole-2-butanoicacid, 1-methyl-)

1H-Benzimidazole-2-butanoicacid, 1-methyl- structure
802044-51-5 structure
Product Name:1H-Benzimidazole-2-butanoicacid, 1-methyl-
CAS No:802044-51-5
MF:C12H14N2O2
MW:218.251762866974
CID:713174
PubChem ID:6494190
Update Time:2025-04-19

1H-Benzimidazole-2-butanoicacid, 1-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-2-butanoicacid, 1-methyl-
    • 4-(1-methylbenzimidazol-2-yl)butanoic acid
    • SCHEMBL16776720
    • DTXSID50424636
    • 802044-51-5
    • VS-10046
    • 4-(1-METHYL-1H-1,3-BENZIMIDAZOL-2-YL)BUTANOIC ACID
    • AKOS000302183
    • 4-(1-Methyl-1H-benzoimidazol-2-yl)-butyric acid
    • 4-(1-Methyl-1H-benzoimidazol-2-yl)-butyric acid
    • 4-(1-methyl-1H-benzimidazol-2-yl)butanoic acid
    • BB 0240455
    • 4-(1-methyl-1H-1,3-benzodiazol-2-yl)butanoic acid
    • MDL: MFCD07397457
    • Inchi: 1S/C12H14N2O2/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(15)16/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)
    • InChI Key: VBGYZHIJSIWBIT-UHFFFAOYSA-N
    • SMILES: OC(CCCC1=NC2C=CC=CC=2N1C)=O

Computed Properties

  • Exact Mass: 218.105527694g/mol
  • Monoisotopic Mass: 218.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 257
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1.6
  • Topological Polar Surface Area: 55.1?2

1H-Benzimidazole-2-butanoicacid, 1-methyl- Pricemore >>

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