Cas no 45515-45-5 (1-methyl-2-cyanoimidazole)

1-Methyl-2-cyanoimidazole is a versatile heterocyclic compound featuring a cyano group at the 2-position and a methyl substituent at the 1-position of the imidazole ring. This structure imparts reactivity useful in organic synthesis, particularly as a building block for pharmaceuticals, agrochemicals, and specialty chemicals. The cyano group enhances electrophilic character, facilitating nucleophilic substitution reactions, while the methyl group improves solubility and stability. Its rigid imidazole core contributes to applications in coordination chemistry and catalysis. The compound’s high purity and well-defined reactivity make it valuable for precise synthetic transformations. Proper handling is advised due to potential sensitivity to moisture and heat.
1-methyl-2-cyanoimidazole structure
1-methyl-2-cyanoimidazole structure
Product Name:1-methyl-2-cyanoimidazole
CAS No:45515-45-5
MF:C5H5N3
MW:107.113300085068
MDL:MFCD08236846
CID:328785
PubChem ID:10953443
Update Time:2025-06-29

1-methyl-2-cyanoimidazole Chemical and Physical Properties

Names and Identifiers

    • 1-methyl-1H-imidazole-2-carbonitrile
    • 1H-Imidazole-2-carbonitrile,1-methyl-
    • 1-Methyl-2-cyanoimidazole
    • 1-methyl-1H-imidazole-2-carbonitrile(SALTDATA: FREE)
    • 1-methylimidazole-2-carbonitrile
    • Z1116403969
    • EN300-114245
    • 45515-45-5
    • SY034553
    • A826831
    • 1H-IMIDAZOLE-2-CARBONITRILE, 1-METHYL-
    • DTXSID20449472
    • CS-0052457
    • 1-Methyl-2-imidazole carbonitrile
    • BB 0261801
    • MFCD08236846
    • VUHMRVLSRIYKKU-UHFFFAOYSA-N
    • SCHEMBL1995889
    • PB34281
    • AKOS006282956
    • FT-0684923
    • AM20100165
    • AS-62650
    • DB-011864
    • DTXCID50400293
    • 1-methyl-2-cyanoimidazole
    • MDL: MFCD08236846
    • Inchi: 1S/C5H5N3/c1-8-3-2-7-5(8)4-6/h2-3H,1H3
    • InChI Key: VUHMRVLSRIYKKU-UHFFFAOYSA-N
    • SMILES: N1(C)C(C#N)=NC=C1

Computed Properties

  • Exact Mass: 107.04800
  • Monoisotopic Mass: 107.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 123
  • 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
  • Topological Polar Surface Area: 41.6A^2
  • XLogP3: 0.1

Experimental Properties

  • Density: 1.12±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 55 °C
  • Boiling Point: 65-70 oC (0.4 Torr)
  • Flash Point: 96.2±22.6 oC,
  • Refractive Index: 1.579
  • Solubility: Slightly soluble (3.7 g/l) (25 o C),
  • PSA: 41.61000
  • LogP: 0.29178

1-methyl-2-cyanoimidazole Customs Data

  • HS CODE:2933290090
  • Customs Data:

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in structure. 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:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1-methyl-2-cyanoimidazole Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:45515-45-5)1-methyl-2-cyanoimidazole
Order Number:A826831
Stock Status:in Stock
Quantity:500mg/25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:11
Price ($):153.0/1507.0

1-methyl-2-cyanoimidazole Related Literature

Additional information on 1-methyl-2-cyanoimidazole

Professional Introduction to 1-methyl-2-cyanoimidazole (CAS No. 45515-45-5)

1-methyl-2-cyanoimidazole (CAS No. 45515-45-5) is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research due to its versatile structural framework and potential biological activities. This compound, characterized by a cyano group and a methyl substituent on an imidazole ring, serves as a valuable scaffold for the development of novel therapeutic agents.

The imidazole core is a prominent motif in bioactive molecules, frequently observed in natural products and pharmacologically relevant compounds. Its unique electronic properties and ability to form hydrogen bonds make it an attractive component in drug design. The introduction of a cyano group at the 2-position and a methyl group at the 1-position further enhances its chemical diversity, enabling various functionalization strategies that can modulate its biological effects.

In recent years, there has been a surge in research focused on developing small-molecule inhibitors targeting specific enzymatic pathways involved in diseases such as cancer, inflammation, and neurodegeneration. 1-methyl-2-cyanoimidazole has emerged as a promising candidate in this context due to its ability to interact with biological targets in multiple ways. For instance, the cyano group can act as a hydrogen bond acceptor or participate in metal coordination, while the methyl group can influence the compound's lipophilicity and binding affinity.

One of the most compelling aspects of 1-methyl-2-cyanoimidazole is its potential application in the synthesis of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling pathways, and their dysregulation is often associated with various diseases, particularly cancer. Researchers have reported the use of imidazole derivatives as scaffolds for designing kinase inhibitors, leveraging the inherent binding properties of the imidazole ring. The presence of additional functional groups like the cyano and methyl substituents allows for fine-tuning of the compound's interactions with the target kinase, leading to improved potency and selectivity.

Moreover, 1-methyl-2-cyanoimidazole has shown promise in preclinical studies as an anti-inflammatory agent. Inflammation is a complex biological response that involves numerous cellular pathways and mediators. The compound's ability to modulate key inflammatory cytokines and enzymes has been explored in several models, suggesting its potential as a therapeutic intervention. This aligns with the growing interest in developing anti-inflammatory drugs that target specific pathways without causing systemic side effects.

The synthesis of 1-methyl-2-cyanoimidazole typically involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Common synthetic routes include condensation reactions between appropriate precursors followed by functional group transformations such as nitrile formation and alkylation. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making it feasible to conduct large-scale investigations into its biological properties.

In addition to its pharmaceutical applications, 1-methyl-2-cyanoimidazole has found utility in materials science and chemical biology. Its unique structural features make it suitable for designing probes and inhibitors for studying protein-protein interactions and enzyme mechanisms. The compound's ability to act as a ligand for metal ions also opens up possibilities for applications in catalysis and material design.

The growing body of research on 1-methyl-2-cyanoimidazole underscores its significance as a versatile building block in drug discovery and chemical innovation. As our understanding of biological systems continues to expand, compounds like this are likely to play an increasingly important role in developing next-generation therapeutics that address unmet medical needs.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:45515-45-5)1-methyl-2-cyanoimidazole
A826831
Purity:99%/99%
Quantity:500mg/25g
Price ($):153.0/1507.0
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