Cas no 159724-51-3 (1-(1H-Benzo[d]imidazol-4-yl)ethanone)

1-(1H-Benzo[d]imidazol-4-yl)ethanone is a versatile heterocyclic compound featuring a benzimidazole core substituted with an acetyl group at the 4-position. This structural motif imparts significant utility in pharmaceutical and agrochemical research, particularly as a key intermediate in the synthesis of biologically active molecules. Its benzoimidazole scaffold is known for enhancing binding affinity in medicinal chemistry applications, while the acetyl group offers a reactive site for further functionalization. The compound exhibits favorable stability under standard handling conditions, ensuring reliable performance in synthetic workflows. Its well-defined reactivity profile makes it a valuable building block for the development of novel therapeutic agents and specialty chemicals.
1-(1H-Benzo[d]imidazol-4-yl)ethanone structure
159724-51-3 structure
Product Name:1-(1H-Benzo[d]imidazol-4-yl)ethanone
CAS No:159724-51-3
MF:C9H8N2O
MW:160.17262172699
MDL:MFCD09263853
CID:109317
PubChem ID:19425957
Update Time:2025-05-27

1-(1H-Benzo[d]imidazol-4-yl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(1H-Benzo[d]imidazol-4-yl)ethanone
    • 1-(1H-benzimidazol-4-yl)ethanone
    • 1-(1H-benzoimidazol-4-yl)-ethanone
    • ETHANONE, 1-(1H-BENZIMIDAZOL-4-YL)-
    • Ethanone,1-(1H-benzimidazol-7-yl)-
    • 4-Acetylbenzimidazole
    • Ethanone, 1-(1H-benzimidazol-4-yl)- (9CI)
    • Ethanone,1-(1H-benzimidazol-4-yl)-
    • Ethanone, 1-(1H-benzimidazol-7-yl)-
    • 1-(1H-Benzimidazol-4-yl)ethan-1-one
    • HQWFHRRBDCBYQS-UHFFFAOYSA-N
    • 1-(1H-benzoimidazol-4-yl)ethanone
    • FCH868009
    • AK126386
    • AX8244079
    • BB 0262397
    • 1-(1H-1,3-benzodiazol-7-yl)ethan-1-one
    • CS-0324261
    • 1-(1H-1,3-benzodiazol-4-yl)ethan-1-one
    • AKOS016344537
    • ZB0547
    • Y10486
    • SCHEMBL112629
    • 1-(1H-benzo[d]imidazol-7-yl)ethan-1-one
    • AS-62076
    • DTXSID80598718
    • AKOS006331240
    • 159724-51-3
    • 1-(1H-1,3-BENZODIAZOL-4-YL)ETHANONE
    • DB-328339
    • MDL： MFCD09263853
    • Inchi： 1S/C9H8N2O/c1-6(12)7-3-2-4-8-9(7)11-5-10-8/h2-5H,1H3,(H,10,11)
    • InChI Key： HQWFHRRBDCBYQS-UHFFFAOYSA-N
    • SMILES： O=C(C)C1=CC=CC2=C1N=CN2

Computed Properties

  • Exact Mass: 160.06400
  • Monoisotopic Mass: 160.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 193
  • 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: 1.2
  • Topological Polar Surface Area: 45.8

Experimental Properties

  • PSA: 45.75000
  • LogP: 1.76550

1-(1H-Benzo[d]imidazol-4-yl)ethanone 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%

1-(1H-Benzo[d]imidazol-4-yl)ethanone Pricemore >>

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1PlusChem
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