Cas no 131020-50-3 (Methyl 1-methyl-1H-benzo[d]Imidazole-6-carboxylate)

Methyl 1-methyl-1H-benzo[d]imidazole-6-carboxylate is a heterocyclic organic compound featuring a benzoimidazole core with a methyl ester substitution at the 6-position and an additional methyl group at the 1-position. This structure confers stability and reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The ester functionality allows for further derivatization, while the methyl group enhances solubility and modulates electronic properties. Its well-defined molecular framework ensures consistent performance in coupling reactions and heterocyclic transformations. The compound is particularly useful in the development of bioactive molecules, offering a balance of steric and electronic effects for targeted applications in medicinal chemistry.
Methyl 1-methyl-1H-benzo[d]Imidazole-6-carboxylate structure
131020-50-3 structure
Product Name:Methyl 1-methyl-1H-benzo[d]Imidazole-6-carboxylate
CAS No:131020-50-3
MF:C10H10N2O2
MW:190.198602199554
MDL:MFCD11973677
CID:850959
PubChem ID:10583823
Update Time:2025-10-29

Methyl 1-methyl-1H-benzo[d]Imidazole-6-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 1-methyl-1H-benzo[d]Imidazole-6-carboxylate
    • 1H-Benzimidazole-6-carboxylicacid,1-methyl-,methylester(9CI)
    • Methyl 1-methyl-1H-benzimidazole-6-carboxylate
    • methyl 3-methylbenzimidazole-5-carboxylate
    • SY269558
    • methyl 1-methyl-1H-1,3-benzodiazole-6-carboxylate
    • METHYL 3-METHYL-1,3-BENZODIAZOLE-5-CARBOXYLATE
    • MFCD11973677
    • DS-14181
    • AKOS006344041
    • C72232
    • Methyl 1-methylbenzoimidazole-6-carboxylate
    • SCHEMBL3492748
    • 131020-50-3
    • SQVPAFJTHBHULZ-UHFFFAOYSA-N
    • 3-methyl-3h-benzimidazole-5-carboxylic acid methyl ester
    • CS-0043192
    • 1H-Benzimidazole-6-carboxylic acid, 1-methyl-, methyl ester
    • EN300-7366309
    • Methyl1-methyl-1H-benzo[d]imidazole-6-carboxylate
    • DB-430633
    • DTXSID701247549
    • MDL： MFCD11973677
    • Inchi： 1S/C10H10N2O2/c1-12-6-11-8-4-3-7(5-9(8)12)10(13)14-2/h3-6H,1-2H3
    • InChI Key： SQVPAFJTHBHULZ-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=CC2=C(C=1)N(C)C=N2)=O

Computed Properties

  • Exact Mass: 190.0743
  • Monoisotopic Mass: 190.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 232
  • 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: 1.3
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • PSA: 44.12

Methyl 1-methyl-1H-benzo[d]Imidazole-6-carboxylate Security Information

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