Cas no 331736-92-6 ((2-Propyl-benzoimidazol-1-yl)-acetic acid)

(2-Propyl-benzoimidazol-1-yl)-acetic acid is a benzoimidazole derivative characterized by a propyl substituent at the 2-position and an acetic acid functional group attached to the nitrogen at the 1-position. This compound exhibits potential as a versatile intermediate in medicinal chemistry, particularly in the synthesis of bioactive molecules targeting enzyme inhibition or receptor modulation. Its structural features, including the benzoimidazole core, contribute to enhanced stability and binding affinity in molecular interactions. The acetic acid moiety allows for further derivatization, enabling conjugation or salt formation to improve solubility. The compound's well-defined heterocyclic framework makes it valuable for research in drug discovery, especially in developing analogs with optimized pharmacokinetic properties. Its purity and consistent synthetic reproducibility support reliable experimental outcomes.
(2-Propyl-benzoimidazol-1-yl)-acetic acid structure
331736-92-6 structure
Product Name:(2-Propyl-benzoimidazol-1-yl)-acetic acid
CAS No:331736-92-6
MF:C12H14N2O2
MW:218.251762866974
CID:3054773
PubChem ID:605493
Update Time:2025-11-01

(2-Propyl-benzoimidazol-1-yl)-acetic acid Chemical and Physical Properties

Names and Identifiers

    • (2-Propyl-benzoimidazol-1-yl)-acetic acid
    • AR-422/40098623
    • HMS1554E18
    • 331736-92-6
    • GNA73692
    • BBL000039
    • Oprea1_346681
    • CS-0332935
    • AKOS000283109
    • (2-Propyl-1H-benzimidazol-1-yl)acetic acid #
    • 2-(2-propyl-1H-1,3-benzodiazol-1-yl)acetic acid
    • (2-Propyl-1H-benzimidazol-1-yl)acetic acid
    • 2-(2-Propyl-1H-benzo[d]imidazol-1-yl)acetic acid
    • SQKBAAWXVRUDNZ-UHFFFAOYSA-N
    • (2-propyl-1,3-benzodiazol-1-yl)acetic acid
    • STK364751
    • Oprea1_690383
    • EU-0068340
    • SR-01000402314
    • VS-00414
    • TimTec1_007146
    • 2-(2-propylbenzimidazol-1-yl)acetic acid
    • Acetic acid, 2-(2-propyl-1-benzimidazolyl)-
    • SR-01000402314-1
    • MDL: MFCD01022054
    • Inchi: 1S/C12H14N2O2/c1-2-5-11-13-9-6-3-4-7-10(9)14(11)8-12(15)16/h3-4,6-7H,2,5,8H2,1H3,(H,15,16)
    • InChI Key: SQKBAAWXVRUDNZ-UHFFFAOYSA-N
    • SMILES: OC(CN1C2C=CC=CC=2N=C1CCC)=O

Computed Properties

  • Exact Mass: 218.105527694Da
  • Monoisotopic Mass: 218.105527694Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 257
  • 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: 2.3
  • Topological Polar Surface Area: 55.1?2

(2-Propyl-benzoimidazol-1-yl)-acetic acid Security Information

  • HazardClass:IRRITANT

(2-Propyl-benzoimidazol-1-yl)-acetic acid Pricemore >>

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(2-Propyl-benzoimidazol-1-yl)-acetic acid Related Literature

Additional information on (2-Propyl-benzoimidazol-1-yl)-acetic acid

Recent Advances in the Study of (2-Propyl-benzoimidazol-1-yl)-acetic acid (CAS: 331736-92-6)

The compound (2-Propyl-benzoimidazol-1-yl)-acetic acid (CAS: 331736-92-6) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its potential therapeutic applications. This molecule, characterized by its unique benzoimidazole core and propyl-acetic acid side chain, has been the subject of several studies aimed at elucidating its pharmacological properties, mechanisms of action, and potential clinical uses. This research briefing provides an overview of the latest findings related to this compound, highlighting its significance in drug discovery and development.

Recent studies have focused on the synthesis and optimization of (2-Propyl-benzoimidazol-1-yl)-acetic acid to enhance its bioavailability and therapeutic efficacy. Researchers have employed advanced synthetic chemistry techniques, including microwave-assisted synthesis and catalytic hydrogenation, to produce high-purity batches of the compound. These efforts have been complemented by computational modeling studies to predict its interactions with biological targets, such as enzymes and receptors implicated in inflammatory and metabolic disorders.

One of the most promising areas of research involves the compound's potential as an anti-inflammatory agent. In vitro and in vivo studies have demonstrated that (2-Propyl-benzoimidazol-1-yl)-acetic acid exhibits significant inhibitory effects on key inflammatory mediators, including cyclooxygenase-2 (COX-2) and tumor necrosis factor-alpha (TNF-α). These findings suggest its potential utility in treating conditions such as rheumatoid arthritis and inflammatory bowel disease. Further preclinical studies are underway to evaluate its safety profile and efficacy in animal models.

Another line of investigation has explored the compound's role in metabolic regulation. Preliminary data indicate that (2-Propyl-benzoimidazol-1-yl)-acetic acid may modulate glucose metabolism by influencing the activity of peroxisome proliferator-activated receptors (PPARs). This has sparked interest in its potential application as a novel therapeutic agent for type 2 diabetes and related metabolic syndromes. However, more extensive clinical trials are needed to validate these findings and assess its long-term effects.

In addition to its therapeutic potential, researchers have also investigated the pharmacokinetic properties of (2-Propyl-benzoimidazol-1-yl)-acetic acid. Studies have shown that the compound exhibits favorable absorption and distribution profiles, with moderate plasma protein binding and a half-life conducive to once-daily dosing. These characteristics make it a viable candidate for further development as an oral medication. Nonetheless, challenges remain in optimizing its metabolic stability and minimizing potential drug-drug interactions.

The latest research also highlights the compound's potential in combination therapies. Synergistic effects have been observed when (2-Propyl-benzoimidazol-1-yl)-acetic acid is co-administered with existing anti-inflammatory or antidiabetic drugs, suggesting that it could enhance the efficacy of current treatment regimens. These findings open new avenues for exploring its use in polypharmacy approaches, particularly for complex, multifactorial diseases.

In conclusion, (2-Propyl-benzoimidazol-1-yl)-acetic acid (CAS: 331736-92-6) represents a promising candidate for further pharmaceutical development. Its diverse pharmacological activities, coupled with its favorable pharmacokinetic profile, underscore its potential as a therapeutic agent for inflammatory and metabolic disorders. Future research should focus on advancing preclinical studies, optimizing its chemical structure for enhanced efficacy, and conducting rigorous clinical trials to establish its safety and effectiveness in human patients. The ongoing exploration of this compound exemplifies the dynamic interplay between chemical biology and drug discovery, offering valuable insights for the broader scientific community.

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