Cas no 396652-38-3 (2,3-dihydro-1-methyl-2-oxo-1H-Benzimidazole-5-carboxylic acid methyl ester)

2,3-Dihydro-1-methyl-2-oxo-1H-benzimidazole-5-carboxylic acid methyl ester is a benzimidazole derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a methyl ester group at the 5-position, enhancing solubility and reactivity for further synthetic modifications. The 1-methyl substitution stabilizes the benzimidazole core, while the 2-oxo group contributes to hydrogen-bonding interactions, making it useful in molecular recognition studies. This compound serves as a versatile intermediate in the synthesis of biologically active molecules, particularly in the development of enzyme inhibitors or receptor modulators. Its well-defined crystalline properties facilitate purification and characterization, ensuring reproducibility in research applications.
2,3-dihydro-1-methyl-2-oxo-1H-Benzimidazole-5-carboxylic acid methyl ester structure
396652-38-3 structure
Product Name:2,3-dihydro-1-methyl-2-oxo-1H-Benzimidazole-5-carboxylic acid methyl ester
CAS No:396652-38-3
MF:C10H10N2O3
MW:206.198002338409
MDL:MFCD12922711
CID:1071915
PubChem ID:22980899
Update Time:2025-06-24

2,3-dihydro-1-methyl-2-oxo-1H-Benzimidazole-5-carboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2,3-dihydro-1-methyl-2-oxo-1H-Benzimidazole-5-carboxylic acid methyl ester
    • Methyl 1-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-5-carboxylate
    • AKOS005073384
    • Methyl 1-methyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylate
    • methyl 1-methyl-2-oxo-3H-benzimidazole-5-carboxylate
    • Methyl1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylate
    • MFCD12922711
    • 396652-38-3
    • CS-0151145
    • methyl 1-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylate
    • Methyl 1-methyl-2-oxo-2,3-dihydro-1H-benzimidazole-5 carboxylate
    • methyl 1-methyl-2-oxo-3H-1,3-benzodiazole-5-carboxylate
    • D82252
    • KD-0732
    • NOCITULOFUAWNK-UHFFFAOYSA-N
    • DB-158030
    • SCHEMBL4254017
    • Methyl 1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylate
    • MDL: MFCD12922711
    • Inchi: 1S/C10H10N2O3/c1-12-8-4-3-6(9(13)15-2)5-7(8)11-10(12)14/h3-5H,1-2H3,(H,11,14)
    • InChI Key: NOCITULOFUAWNK-UHFFFAOYSA-N
    • SMILES: O=C1NC2C=C(C(=O)OC)C=CC=2N1C

Computed Properties

  • Exact Mass: 206.069
  • Monoisotopic Mass: 206.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 292
  • 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
  • Topological Polar Surface Area: 58.6A^2
  • XLogP3: 0.6

Experimental Properties

  • Melting Point: 253-255°

2,3-dihydro-1-methyl-2-oxo-1H-Benzimidazole-5-carboxylic acid methyl ester Security Information

  • HazardClass:IRRITANT

2,3-dihydro-1-methyl-2-oxo-1H-Benzimidazole-5-carboxylic acid methyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
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396652-38-3 95%
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abcr
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