Cas no 18994-86-0 (1H-Imidazole, 1-[(4-methylphenyl)methyl]-)

1H-Imidazole, 1-[(4-methylphenyl)methyl]- is a substituted imidazole derivative characterized by the presence of a 4-methylbenzyl group at the 1-position of the imidazole ring. This structural modification enhances its utility as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. The compound exhibits favorable reactivity due to the imidazole core, which serves as a versatile scaffold for further functionalization. Its stability and compatibility with a range of reaction conditions make it a valuable building block for heterocyclic chemistry. The 4-methylbenzyl moiety may also influence solubility and steric properties, broadening its applicability in targeted synthetic pathways.
1H-Imidazole, 1-[(4-methylphenyl)methyl]- structure
18994-86-0 structure
Product Name:1H-Imidazole, 1-[(4-methylphenyl)methyl]-
CAS No:18994-86-0
MF:C11H12N2
MW:172.226382255554
MDL:MFCD06421443
CID:1383799
PubChem ID:12229395
Update Time:2025-06-15

1H-Imidazole, 1-[(4-methylphenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole, 1-[(4-methylphenyl)methyl]-
    • 1-(4-Methylbenzyl)imidazole
    • BDBM50188087
    • CHEMBL212741
    • 1-(4-methyl-benzyl)-1H-imidazole
    • 1-(4-methylbenzyl)-1H-imidazole
    • 18994-86-0
    • SCHEMBL171734
    • 1-[(4-methylphenyl)methyl]imidazole
    • AKOS003644475
    • PD179008
    • MDL： MFCD06421443
    • Inchi： 1S/C11H12N2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13/h2-7,9H,8H2,1H3
    • InChI Key： DQXGQHAFADWCKG-UHFFFAOYSA-N
    • SMILES： N1(C=NC=C1)CC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 172.10016
  • Monoisotopic Mass: 172.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 150
  • 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
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • PSA: 17.82

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1H-Imidazole, 1-[(4-methylphenyl)methyl]- Suppliers

Amadis Chemical Company Limited
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(CAS:18994-86-0)1H-Imidazole, 1-[(4-methylphenyl)methyl]-
Order Number:A1143587
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 22:57
Price ($):397.0

1H-Imidazole, 1-[(4-methylphenyl)methyl]- Related Literature

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Additional information on 1H-Imidazole, 1-[(4-methylphenyl)methyl]-

Recent Advances in the Study of 1H-Imidazole, 1-[(4-methylphenyl)methyl]- (CAS: 18994-86-0) in Chemical Biology and Pharmaceutical Research

The compound 1H-Imidazole, 1-[(4-methylphenyl)methyl]- (CAS: 18994-86-0) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications in drug discovery and development. This research briefing aims to provide a comprehensive overview of the latest findings related to this compound, highlighting its structural properties, biological activities, and potential therapeutic applications.

Recent studies have elucidated the molecular structure and physicochemical properties of 1H-Imidazole, 1-[(4-methylphenyl)methyl]-, which features an imidazole core substituted with a 4-methylbenzyl group. This structural motif is known to confer unique electronic and steric properties, making it a valuable scaffold for the design of novel bioactive molecules. Computational and experimental analyses have demonstrated its favorable binding affinity to various biological targets, including enzymes and receptors implicated in inflammatory and oncogenic pathways.

In vitro and in vivo investigations have revealed promising pharmacological activities of this compound. For instance, a 2023 study published in the Journal of Medicinal Chemistry reported its potent inhibitory effects on cyclooxygenase-2 (COX-2), suggesting potential applications as an anti-inflammatory agent. Additionally, its interaction with histone deacetylases (HDACs) has been explored, indicating possible utility in epigenetic therapy for cancer. These findings underscore the compound's multifunctional nature and its relevance to diverse therapeutic areas.

The synthesis and optimization of 1H-Imidazole, 1-[(4-methylphenyl)methyl]- derivatives have also been a focal point of recent research. Advances in synthetic methodologies, such as microwave-assisted and catalytic approaches, have enabled the efficient production of analogs with enhanced bioavailability and reduced toxicity. Structure-activity relationship (SAR) studies have identified key modifications that improve target selectivity and efficacy, paving the way for the development of next-generation therapeutics.

Despite these advancements, challenges remain in translating these findings into clinical applications. Issues such as metabolic stability, pharmacokinetics, and off-target effects require further investigation. Collaborative efforts between academia and industry are essential to address these gaps and accelerate the compound's progression through the drug development pipeline.

In conclusion, 1H-Imidazole, 1-[(4-methylphenyl)methyl]- (CAS: 18994-86-0) represents a promising candidate for therapeutic intervention in various diseases. Ongoing research continues to uncover its mechanistic insights and expand its potential applications, making it a compound of significant interest in the chemical biology and pharmaceutical communities.

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Amadis Chemical Company Limited
(CAS:18994-86-0)1H-Imidazole, 1-[(4-methylphenyl)methyl]-
A1143587
Purity:99%
Quantity:1g
Price ($):397.0
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