Cas no 5709-29-5 (1H-Imidazole, 1-dodecyl-2-methyl-)

1H-Imidazole, 1-dodecyl-2-methyl-, is a specialized alkyl-substituted imidazole derivative with notable applications in surfactant chemistry and catalysis. Its structure combines a hydrophobic dodecyl chain with the heterocyclic imidazole ring, enhancing its amphiphilic properties and solubility in organic matrices. This compound is particularly valued for its role as an intermediate in synthesizing ionic liquids and surface-active agents, where its balanced lipophilicity and nitrogen-based functionality contribute to improved stability and reactivity. Additionally, its alkyl modifications make it suitable for use in corrosion inhibition and phase-transfer catalysis. The methyl group at the 2-position further fine-tunes steric and electronic effects, optimizing performance in tailored chemical processes.
1H-Imidazole, 1-dodecyl-2-methyl- structure
5709-29-5 structure
Product Name:1H-Imidazole, 1-dodecyl-2-methyl-
CAS No:5709-29-5
MF:C16H30N2
MW:250.422804355621
CID:346522
PubChem ID:15099906
Update Time:2025-10-31

1H-Imidazole, 1-dodecyl-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole, 1-dodecyl-2-methyl-
    • 1-Dodecyl-2-methyl-1H-imidazole
    • 1-dodecyl-2-methylimidazole
    • 1-n-dodecyl-2-methylimidazole
    • SCHEMBL634872
    • DTXSID50568185
    • 5709-29-5
    • N-dodecyl-2-methylimidazole
    • GMOKBQLJIIVDQQ-UHFFFAOYSA-N
    • CHEMBL95591
    • MFCD19190539
    • AKOS006260414
    • Inchi: 1S/C16H30N2/c1-3-4-5-6-7-8-9-10-11-12-14-18-15-13-17-16(18)2/h13,15H,3-12,14H2,1-2H3
    • InChI Key: GMOKBQLJIIVDQQ-UHFFFAOYSA-N
    • SMILES: N1(C=CN=C1C)CCCCCCCCCCCC

Computed Properties

  • Exact Mass: 250.2411
  • Monoisotopic Mass: 250.240898965g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 11
  • Complexity: 182
  • 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: 5.9
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • PSA: 17.82

1H-Imidazole, 1-dodecyl-2-methyl- Pricemore >>

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abcr
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Additional information on 1H-Imidazole, 1-dodecyl-2-methyl-

Professional Introduction to 1H-Imidazole, 1-dodecyl-2-methyl- (CAS No. 5709-29-5)

1H-Imidazole, 1-dodecyl-2-methyl- (CAS No. 5709-29-5) is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology due to its unique structural properties and potential applications. This compound, characterized by its 1H-imidazole core structure and the presence of a dodecyl and methyl substituents, exhibits intriguing chemical behaviors that make it a valuable candidate for further research and development.

The 1H-imidazole ring is a heterocyclic aromatic compound that plays a crucial role in the synthesis of various bioactive molecules. Its nitrogen-rich structure allows for multiple functionalization possibilities, making it a versatile scaffold in drug design. The addition of a dodecyl side chain enhances the lipophilicity of the molecule, which can be particularly beneficial for improving membrane permeability and bioavailability. The methyl group at the 2-position further modulates the electronic properties of the imidazole ring, influencing its reactivity and interaction with biological targets.

Recent advancements in medicinal chemistry have highlighted the importance of 1H-imidazole derivatives in developing novel therapeutic agents. Studies have demonstrated that compounds incorporating the imidazole moiety exhibit a wide range of biological activities, including antimicrobial, antiviral, and anti-inflammatory properties. The structural modifications introduced in 1H-Imidazole, 1-dodecyl-2-methyl-, such as the long alkyl chain and methyl substituent, are strategically designed to optimize its pharmacokinetic profile and enhance its interaction with specific biological receptors.

In particular, the dodecyl group contributes to the compound's solubility in organic solvents and lipids, facilitating its absorption and distribution within biological systems. This feature is particularly relevant in drug formulation, where achieving optimal solubility is essential for effective delivery. Additionally, the methyl group at the 2-position of the imidazole ring can participate in hydrogen bonding interactions with biological targets, thereby increasing binding affinity and therapeutic efficacy.

The potential applications of 1H-Imidazole, 1-dodecyl-2-methyl-, are vast and span across multiple therapeutic areas. Researchers are exploring its utility in developing treatments for neurological disorders, where imidazole derivatives have shown promise in modulating neurotransmitter activity. Furthermore, its structural features make it a suitable candidate for antifungal and antibacterial agents, addressing the growing challenge of antibiotic resistance.

One of the most exciting aspects of this compound is its potential as a lead molecule for further drug discovery initiatives. By leveraging computational modeling and high-throughput screening techniques, scientists can rapidly assess the biological activity of derivatives of 1H-Imidazole, 1-dodecyl-2-methyl-. This approach allows for the identification of novel analogs with enhanced potency and reduced side effects.

The synthesis of 1H-Imidazole, 1-dodecyl-2-methyl-, involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Advanced synthetic methodologies, such as transition metal-catalyzed cross-coupling reactions and polymer-assisted synthesis techniques, are employed to construct the complex molecular framework efficiently. These methods not only improve synthetic efficiency but also enable access to more intricate derivatives for future research.

The pharmacological evaluation of this compound has revealed promising results in preclinical studies. Initial experiments indicate that it exhibits favorable pharmacokinetic properties, including adequate absorption, distribution, metabolism, excretion (ADME) characteristics. These findings support its potential as a viable candidate for further clinical development.

As research in this field continues to evolve, collaborations between academic institutions and pharmaceutical companies will be crucial in advancing the development of novel imidazole-based therapeutics. The unique properties of 1H-Imidazole, 1-dodecyl-2-methyl-, positioned it as a cornerstone compound in this ongoing effort to discover innovative treatments for various diseases.

In conclusion, 1H-Imidazole, 1-dodecyl-2-methyl- (CAS No. 5709-29-5) represents a significant advancement in pharmaceutical chemistry. Its well-designed structure offers numerous opportunities for therapeutic applications across diverse medical conditions. With continued research and development efforts aimed at optimizing its pharmacological profile, this compound holds great promise as a future therapeutic agent.

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