Cas no 185428-95-9 (1H-Benzimidazole-5-carboxylic acid, 1-(phenylmethyl)-, methyl ester)

1H-Benzimidazole-5-carboxylic acid, 1-(phenylmethyl)-, methyl ester is a benzimidazole derivative with a phenylmethyl substitution at the 1-position and a methyl ester functional group at the 5-carboxylic acid position. This compound is of interest in pharmaceutical and organic synthesis due to its structural features, which serve as a versatile intermediate for further derivatization. The ester group enhances solubility and reactivity, facilitating downstream modifications, while the benzimidazole core provides a rigid heterocyclic framework common in bioactive molecules. Its well-defined structure and purity make it suitable for research applications, particularly in medicinal chemistry, where benzimidazole scaffolds are explored for their potential biological activity.
1H-Benzimidazole-5-carboxylic acid, 1-(phenylmethyl)-, methyl ester structure
185428-95-9 structure
Product Name:1H-Benzimidazole-5-carboxylic acid, 1-(phenylmethyl)-, methyl ester
CAS No:185428-95-9
MF:C16H14N2O2
MW:266.294563770294
CID:850663
PubChem ID:54450488
Update Time:2025-06-07

1H-Benzimidazole-5-carboxylic acid, 1-(phenylmethyl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-5-carboxylic acid, 1-(phenylmethyl)-, methyl ester
    • methyl 1-benzylbenzimidazole-5-carboxylate
    • 1-benzyl-1H-benzimidazole-5-carboxylic acid methyl ester
    • methyl 1-benzyl-5-benzimidazolecarboxylate
    • Methyl 1-benzylbenzoimidazole-5-carboxylate
    • METHYL 1-BENZYL-1,3-BENZODIAZOLE-5-CARBOXYLATE
    • Methyl 1-benzyl-1H-benzimidazole-5-carboxylate
    • G65155
    • methyl 1-benzyl-1H-1,3-benzodiazole-5-carboxylate
    • SCHEMBL7814456
    • 185428-95-9
    • DTXSID60711428
    • AKOS015999449
    • CS-0210683
    • LCZC3281
    • WUPVMGHYFHRSTG-UHFFFAOYSA-N
    • Methyl 1-benzyl-1H-benzo[d]imidazole-5-carboxylate
    • BS-27529
    • MDL： MFCD18203532
    • Inchi： 1S/C16H14N2O2/c1-20-16(19)13-7-8-15-14(9-13)17-11-18(15)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
    • InChI Key： WUPVMGHYFHRSTG-UHFFFAOYSA-N
    • SMILES： O(C)C(C1C=CC2=C(C=1)N=CN2CC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 266.10600
  • Monoisotopic Mass: 266.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 341
  • 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: 2.9
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • PSA: 44.12000
  • LogP: 2.87120

1H-Benzimidazole-5-carboxylic acid, 1-(phenylmethyl)-, methyl ester Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1H-Benzimidazole-5-carboxylic acid, 1-(phenylmethyl)-, methyl ester Pricemore >>

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