Cas no 954153-25-4 (1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one)

1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one structure
954153-25-4 structure
Product Name:1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one
CAS No:954153-25-4
MF:C6H10N2O
MW:126.156401157379
CID:5046220
PubChem ID:21037405
Update Time:2025-07-18

1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one Chemical and Physical Properties

Names and Identifiers

    • 2H-Imidazol-2-one, 1,3-dihydro-1-(1-methylethyl)-
    • 3-propan-2-yl-1H-imidazol-2-one
    • 1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one
    • Inchi: 1S/C6H10N2O/c1-5(2)8-4-3-7-6(8)9/h3-5H,1-2H3,(H,7,9)
    • InChI Key: YANWIOIEGWOZGP-UHFFFAOYSA-N
    • SMILES: O=C1NC=CN1C(C)C

Computed Properties

  • Exact Mass: 126.079312947g/mol
  • Monoisotopic Mass: 126.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 151
  • 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: 0.1
  • Topological Polar Surface Area: 32.299

1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one Pricemore >>

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Additional information on 1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one

Introduction to 1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one (CAS No. 954153-25-4) and Its Emerging Applications in Chemical Biology and Medicinal Chemistry

The compound 1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one (CAS No. 954153-25-4) represents a fascinating scaffold that has garnered significant attention in the fields of chemical biology and medicinal chemistry due to its unique structural and functional properties. As a derivative of imidazole, this molecule possesses a versatile framework that can be modified to develop novel bioactive entities. The presence of a propyl group at the 1-position enhances its lipophilicity, making it a promising candidate for drug design and development.

In recent years, the exploration of heterocyclic compounds has been extensively studied for their potential applications in pharmaceuticals. The imidazol-2-one moiety is particularly intriguing because it can serve as a key pharmacophore in various therapeutic contexts. This compound’s ability to interact with biological targets through hydrogen bonding and hydrophobic interactions has opened up new avenues for medicinal chemists seeking to design molecules with improved pharmacokinetic profiles.

One of the most compelling aspects of 1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one is its structural flexibility, which allows for the synthesis of a wide range of derivatives with tailored biological activities. Researchers have leveraged this scaffold to develop molecules with potential applications in treating inflammatory diseases, infectious disorders, and even certain types of cancer. The compound’s ability to modulate enzyme activity and receptor binding has been particularly well-documented in preclinical studies.

Recent advancements in computational chemistry have further accelerated the discovery process for this class of compounds. By employing molecular modeling techniques, scientists can predict how modifications to the 1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one structure will influence its biological behavior. This approach has led to the identification of novel analogs with enhanced potency and selectivity, which are crucial factors in drug development.

The synthesis of 1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one typically involves multi-step organic reactions that highlight the ingenuity of synthetic chemists. The process often begins with the formation of an imidazole ring followed by functionalization at the 2-position with a hydroxyl group, which is then converted into the corresponding 2-one derivative. The introduction of the propyl group at the 1-position can be achieved through nucleophilic substitution or other coupling reactions, depending on the synthetic strategy employed.

From a pharmaceutical perspective, the bioavailability and metabolic stability of 1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one are critical considerations. Studies have shown that modifications to its structure can significantly impact these properties. For instance, introducing fluorine atoms or other halogen substituents can enhance metabolic stability while maintaining or improving biological activity. These findings underscore the importance of structure-function relationships in medicinal chemistry.

The compound’s potential as an intermediate in drug discovery is further supported by its compatibility with various chemical transformations. For example, it can undergo alkylation, acylation, or amidation reactions to introduce additional functional groups that may enhance its therapeutic efficacy. This adaptability makes it a valuable building block for synthetic chemists working on complex molecular architectures.

In conclusion, 1-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one (CAS No. 954153-25-4) represents a promising scaffold with significant potential in chemical biology and medicinal chemistry. Its unique structural features and biological activities make it an attractive candidate for further investigation and development into novel therapeutic agents. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in addressing unmet medical needs.

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