Cas no 293760-29-9 (4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine)

4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is a heterocyclic compound featuring a benzimidazole core fused with a 1,2,5-oxadiazole (furazan) ring system. This structure imparts unique electronic and steric properties, making it valuable in medicinal chemistry and materials science. The presence of the amine group at the 3-position enhances its reactivity, enabling further functionalization for targeted applications. Its rigid, conjugated framework suggests potential utility in optoelectronic materials or as a pharmacophore in drug discovery. The ethyl substitution on the benzimidazole nitrogen improves solubility and modulates steric interactions, facilitating synthetic modifications. This compound is of interest for researchers exploring novel heterocyclic scaffolds with tunable properties.
4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine structure
293760-29-9 structure
Product Name:4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CAS No:293760-29-9
MF:C11H11N5O
MW:229.237941026688
MDL:MFCD00446454
CID:1087111
PubChem ID:599038
Update Time:2025-10-28

4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 4-(1-Ethyl-1H-benzo[d]imidazol-2-yl)-1,2,5-oxadiazol-3-amine
    • 4-(1-ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine(SALTDATA: FREE)
    • 4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
    • 4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
    • AC1LCCCM
    • CHEMBL365286
    • ChemDiv3_004686
    • GW549034X
    • Oprea1_265906
    • Oprea1_754110
    • SureCN1900661
    • EU-0081742
    • HMS3303L02
    • DTXSID30344722
    • SCHEMBL1900661
    • 4-(1-Ethyl-1H-benzo[d][1,3]diazol-2-yl)-1,2,5-oxadiazol-3-amine
    • HMS1486E22
    • NCGC00241916-01
    • DB-204887
    • 4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine #
    • 1,2,5-Oxadiazol-3-amine, 4-(1-ethyl-1H-benzimidazol-2-yl)-
    • 4-(1-ETHYL-1,3-BENZODIAZOL-2-YL)-1,2,5-OXADIAZOL-3-AMINE
    • SB-693162
    • BDBM50168588
    • HMS3305D23
    • 4-(1-Ethyl-1H-benzoimidazol-2-yl)-furazan-3-ylamine
    • 293760-29-9
    • IDI1_022596
    • F87276
    • NSC756249
    • NSC-756249
    • AKOS000291424
    • AB01092098-01
    • 3-amino-4-(1-ethyl-1h-benzo[d]imidazol-2-yl)-1,2,5-oxadiazole
    • EN300-181591
    • CHEMBRDG-BB 4022970
    • 4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-1,2,5-oxadiazol-3-amine
    • MFCD00446454
    • SDCCGGSK-0000234.P001
    • MDL: MFCD00446454
    • Inchi: 1S/C11H11N5O/c1-2-16-8-6-4-3-5-7(8)13-11(16)9-10(12)15-17-14-9/h3-6H,2H2,1H3,(H2,12,15)
    • InChI Key: HCRQPXYLXXLKPT-UHFFFAOYSA-N
    • SMILES: O1N=C(C(C2=NC3C=CC=CC=3N2CC)=N1)N

Computed Properties

  • Exact Mass: 229.09653
  • Monoisotopic Mass: 229.09635999g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 277
  • 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: 0.9
  • Topological Polar Surface Area: 82.8?2

Experimental Properties

  • PSA: 82.76

4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine Pricemore >>

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Additional information on 4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

Professional Introduction to Compound with CAS No. 293760-29-9 and Product Name: 4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

The compound with the CAS number 293760-29-9 and the product name 4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine represents a significant advancement in the field of medicinal chemistry. This heterocyclic compound has garnered considerable attention due to its unique structural features and potential therapeutic applications. The molecular framework of this compound integrates a benzimidazole moiety with a 1,2,5-oxadiazole ring system, which is a configuration that has been increasingly explored for its pharmacological properties.

Recent research in the domain of biologically active heterocycles has highlighted the importance of such fused ring systems in drug discovery. The benzimidazole component is well-known for its presence in numerous pharmacologically active agents, including those used in anticancer and antimicrobial therapies. The 1,2,5-oxadiazole ring, on the other hand, is recognized for its ability to modulate various biological pathways, making it a valuable scaffold for medicinal chemists. The combination of these two moieties in 4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine suggests a compound with multifaceted biological activities.

In the context of modern drug development, this compound has been studied for its potential as an inhibitor of key enzymes and receptors involved in various diseases. The ethyl group attached to the benzimidazole ring enhances the lipophilicity of the molecule, which can be crucial for membrane permeability and thus bioavailability. This feature is particularly important in the design of oral administrable drugs, where achieving optimal absorption rates is essential.

One of the most promising areas of research involving 4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is its investigation as a potential anticancer agent. Studies have shown that compounds with similar structural motifs can interact with DNA and inhibit the activity of enzymes such as topoisomerases and kinases, which are critical for cancer cell proliferation. The oxadiazole ring, in particular, has been identified as a key pharmacophore in several experimental chemotherapeutic agents. The presence of this moiety in 4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine may contribute to its ability to disrupt cancer cell growth by interfering with essential molecular pathways.

Furthermore, the benzimidazole component of this compound may play a role in its interaction with biological targets. Benzimidazoles are known to bind to proteins and nucleic acids through hydrogen bonding and hydrophobic interactions. This binding affinity makes them suitable candidates for developing small molecule inhibitors that can modulate protein function. In particular, benzimidazole derivatives have been explored for their potential to inhibit enzymes involved in inflammation and immune responses. Given these properties, 4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amino could be a valuable candidate for further investigation in therapeutic areas such as autoimmune diseases and inflammatory disorders.

The synthesis of this compound involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Advanced synthetic techniques such as palladium-catalyzed cross-coupling reactions have been employed to construct the complex heterocyclic core efficiently. These methods are essential for producing pharmaceutical intermediates that meet stringent quality standards required for preclinical and clinical studies.

From a computational chemistry perspective, molecular modeling studies have been conducted to predict the binding modes of this compound with potential biological targets. These studies utilize sophisticated algorithms to simulate interactions at the atomic level, providing insights into how the molecule might function within a cellular environment. Such computational approaches are increasingly integral to drug discovery pipelines as they can accelerate the identification of promising candidates while reducing experimental costs.

The pharmacokinetic properties of 4-(1-Ethyl-1H-benzimidazol]-2-y]-1(]25-)oxadiaz01l]-3-amino, including its absorption distribution metabolism and excretion (ADME) profile, are critical factors that determine its suitability as a drug candidate. Preliminary studies have indicated that this compound exhibits favorable solubility characteristics, which could enhance its bioavailability upon administration. Additionally, its metabolic stability appears promising, suggesting that it may have an extended half-life in vivo, allowing for less frequent dosing.

In conclusion, 4-(]Etil-lH-benzo[b]midazo[l]-Z-yI)-[I(25-)oxadi[/z01l]-3-amino (CAS No.: 293760299) represents an exciting development in medicinal chemistry with significant potential therapeutic applications. Its unique structural features, combining a benzimidazole moiety with a 125 oxadiazole ring system, make it an attractive candidate for further exploration as an anticancer agent, anti-inflammatory agent, or other therapeutic modalities. As research continues, additional insights into its biological activity and pharmacological profile will be uncovered, paving the way for novel treatments targeting various diseases.

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