Cas no 344903-55-5 (2-Imidazolidinone,1-ethenyl-3-methyl-)

2-Imidazolidinone,1-ethenyl-3-methyl- is a heterocyclic organic compound featuring a five-membered ring structure containing two nitrogen atoms at the 1 and 3 positions. This compound is characterized by the presence of an ethenyl (vinyl) group at the 1-position and a methyl group at the 3-position, which enhance its reactivity and potential for further functionalization. It serves as a versatile intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty polymers. The compound's unique structure allows for selective modifications, making it valuable in the development of biologically active molecules. Its stability under various reaction conditions and compatibility with multiple synthetic pathways contribute to its utility in industrial and research applications.
2-Imidazolidinone,1-ethenyl-3-methyl- structure
344903-55-5 structure
Product Name:2-Imidazolidinone,1-ethenyl-3-methyl-
CAS No:344903-55-5
MF:C6H10N2O
MW:126.156401157379
CID:302603
PubChem ID:9964089
Update Time:2025-07-02

2-Imidazolidinone,1-ethenyl-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Imidazolidinone,1-ethenyl-3-methyl-
    • 2-Imidazolidinone,1-ethenyl-3-methyl-(9CI)
    • SCHEMBL4199239
    • 1-ETHENYL-3-METHYLIMIDAZOLIDIN-2-ONE
    • 344903-55-5
    • EN300-7611041
    • Inchi: 1S/C6H10N2O/c1-3-8-5-4-7(2)6(8)9/h3H,1,4-5H2,2H3
    • InChI Key: FQCVOVFWCPRTDQ-UHFFFAOYSA-N
    • SMILES: O=C1N(C=C)CCN1C

Computed Properties

  • Exact Mass: 126.0794
  • Monoisotopic Mass: 126.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 144
  • 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
  • Topological Polar Surface Area: 23.6?2

Experimental Properties

  • PSA: 23.55

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2-Imidazolidinone,1-ethenyl-3-methyl- Related Literature

Additional information on 2-Imidazolidinone,1-ethenyl-3-methyl-

Professional Introduction to 2-Imidazolidinone,1-ethenyl-3-methyl- (CAS No. 344903-55-5)

2-Imidazolidinone,1-ethenyl-3-methyl-, identified by its Chemical Abstracts Service (CAS) number 344903-55-5, is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and bioorganic synthesis. This compound belongs to the imidazolidinone class, a structural motif known for its versatility in medicinal chemistry due to its ability to form stable ring systems with functional groups that can interact with biological targets. The presence of both an ethenyl group and a methyl substituent in the molecule imparts unique electronic and steric properties, making it a promising candidate for further exploration in drug discovery and material science.

The structure of 2-Imidazolidinone,1-ethenyl-3-methyl- features a five-membered ring containing two nitrogen atoms, which is characteristic of imidazolidinone derivatives. The ethenyl group (vinyl group) at the 1-position introduces reactivity that can be exploited in various synthetic pathways, while the methyl group at the 3-position provides steric hindrance and can influence the compound's solubility and metabolic stability. These features make it an intriguing subject for researchers aiming to develop novel therapeutic agents or functional materials.

In recent years, there has been growing interest in heterocyclic compounds as pharmacophores due to their prevalence in bioactive natural products and synthetic drugs. Imidazolidinones, in particular, have been studied for their potential applications in treating a wide range of diseases, including infectious disorders, inflammation, and cancer. The unique chemical properties of 2-Imidazolidinone,1-ethenyl-3-methyl- suggest that it could serve as a key intermediate in the synthesis of more complex molecules with enhanced biological activity.

One of the most compelling aspects of this compound is its potential role in drug development. Researchers have been exploring imidazolidinone derivatives as scaffolds for small-molecule drugs due to their ability to mimic natural products and interact with biological targets such as enzymes and receptors. The ethenyl group in 2-Imidazolidinone,1-ethenyl-3-methyl- can be functionalized through various chemical reactions, such as hydroxylation, oxidation, or coupling with other molecules, thereby allowing for the creation of diverse pharmacological entities.

Recent studies have highlighted the importance of imino acids and related derivatives in medicinal chemistry. Compounds like 2-Imidazolidinone,1-ethenyl-3-methyl- are often used as building blocks in the synthesis of peptidomimetics and other bioactive molecules. The flexibility of the imidazolidinone ring allows it to adopt multiple conformations, which can be advantageous in designing molecules that fit well into biological binding sites. Additionally, the presence of both nitrogen and oxygen atoms in the ring system enhances hydrogen bonding capabilities, further improving interactions with biological targets.

The chemical reactivity of 2-Imidazolidinone,1-ethenyl-3-methyl- also makes it a valuable tool in synthetic organic chemistry. The ethenyl group can undergo addition reactions with various electrophiles, while the methyl group can be used to influence regioselectivity. These properties have been exploited in the development of novel synthetic methodologies for constructing complex heterocyclic frameworks. For instance, palladium-catalyzed cross-coupling reactions have been employed to introduce additional functional groups into the molecule, expanding its pharmacological potential.

In terms of biological activity, preliminary studies on related imidazolidinone derivatives have shown promising results in various therapeutic areas. Some research suggests that these compounds may exhibit antimicrobial properties by interfering with essential bacterial pathways. Others have explored their potential as anti-inflammatory agents or kinase inhibitors. While more extensive research is needed to fully elucidate the biological effects of 2-Imidazolidinone,1-Ethenyl-3-methyl, these findings underscore its significance as a lead compound for drug discovery efforts.

The synthesis of 2-Imidazolidinone,1-Ethenyl-3-methyl involves multi-step organic transformations that highlight the compound's synthetic utility. Starting from commercially available precursors such as ethylene oxide or methyl acrylate, researchers can construct the imidazolidinone core through cyclization reactions. Subsequent functionalization steps allow for the introduction of the ethenyl and methyl groups at specific positions on the ring. These synthetic routes are often optimized to maximize yield and purity while minimizing side reactions.

Advances in computational chemistry have also played a crucial role in understanding the properties of 2-Imidazolidinone,1-Ethenyl-3-methyl. Molecular modeling techniques allow researchers to predict how this compound might interact with biological targets at an atomic level. This information is invaluable for designing experiments aimed at optimizing its pharmacological activity. Additionally, computational methods can be used to screen large libraries of derivatives rapidly, identifying those with enhanced potency or selectivity.

The industrial relevance of this compound cannot be overstated. As pharmaceutical companies continue to seek innovative therapeutic agents, compounds like 2-imidazolidinones are becoming increasingly important due to their structural diversity and functional flexibility. The ability to modify their core structure while maintaining biological activity makes them attractive candidates for further development into marketable drugs.

In conclusion,2-imidazolidinones, including 2-Ethenylmethyl Imidazolidinone (CAS No: 344903555) are a class of heterocyclic compounds with significant potential in pharmaceutical research and drug development. Their unique structural features make them versatile building blocks for synthesizing bioactive molecules with applications ranging from infectious diseases to chronic conditions like cancer and inflammation. Continued exploration into their chemical reactivity and biological effects will undoubtedly yield new insights into their therapeutic utility.

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