Cas no 111678-86-5 (2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol)

2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol is a benzimidazole derivative with potential applications in pharmaceutical and chemical research due to its unique structural properties. The compound features a propyl-substituted benzimidazole core linked to an aminoethanol moiety, enhancing its solubility and reactivity in various synthetic processes. Its benzimidazole scaffold is known for biological activity, making it a candidate for further investigation in medicinal chemistry. The presence of the aminoethanol group allows for versatile functionalization, facilitating its use as an intermediate in the development of more complex molecules. This compound is characterized by its stability and compatibility with a range of reaction conditions, supporting its utility in specialized organic synthesis.
2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol structure
111678-86-5 structure
Product Name:2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol
CAS No:111678-86-5
MF:C12H17N3O
MW:219.282882452011
MDL:MFCD01136089
CID:1069178
PubChem ID:2849631
Update Time:2025-05-21

2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol Chemical and Physical Properties

Names and Identifiers

    • 2-[(1-Propyl-1H-benzimidazol-2-yl)amino]ethanol
    • 2-[(1-propylbenzimidazol-2-yl)amino]ethanol
    • 2-[(1-propyl-2-benzimidazolyl)amino]ethanol
    • 2-(1-Propyl-1H-benzoimidazol-2-ylamino)-ethanol
    • 111678-86-5
    • AKOS002255606
    • 2-[(1-propyl-1H-1,3-benzodiazol-2-yl)amino]ethan-1-ol
    • Z57299366
    • MLS000595352
    • G42749
    • Oprea1_197316
    • Ethanol, 2-[(1-propyl-1H-benzimidazol-2-yl)amino]-
    • 2-((1-Propyl-1H-benzo[d]imidazol-2-yl)amino)ethanol
    • CS-0216575
    • SMR000149875
    • 5523-13-7
    • CCG-9730
    • HMS2486N22
    • Cambridge id 5523137
    • MFCD01136089
    • BIM-0022502.P001
    • CBMicro_022644
    • 2-[(1-Propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)amino]ethan-1-ol
    • EN300-51640
    • ALBB-017607
    • STK008519
    • DTXSID20970554
    • CHEMBL1517899
    • LS-05779
    • 2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol
    • MDL: MFCD01136089
    • Inchi: 1S/C12H17N3O/c1-2-8-15-11-6-4-3-5-10(11)14-12(15)13-7-9-16/h3-6,16H,2,7-9H2,1H3,(H,13,14)
    • InChI Key: UKANTQXTRJQTAF-UHFFFAOYSA-N
    • SMILES: OCCNC1=NC2C=CC=CC=2N1CCC

Computed Properties

  • Exact Mass: 219.137162174g/mol
  • Monoisotopic Mass: 219.137162174g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 212
  • 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: 1.9
  • Topological Polar Surface Area: 50.1?2

2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol Security Information

  • HazardClass:IRRITANT

2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol Pricemore >>

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Additional information on 2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol

Comprehensive Overview of 2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol (CAS No. 111678-86-5): Properties, Applications, and Innovations

2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol (CAS No. 111678-86-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and material science research. This benzimidazole derivative is characterized by its unique molecular structure, combining a propyl-substituted benzimidazole core with an aminoethanol side chain. Such structural features make it a versatile intermediate for synthesizing advanced materials and bioactive molecules.

In recent years, the demand for high-performance heterocyclic compounds like 2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol has surged due to their applications in drug discovery and functional materials. Researchers are particularly interested in its potential as a building block for kinase inhibitors and antimicrobial agents, aligning with the global focus on combating antibiotic resistance. The compound's CAS No. 111678-86-5 is frequently searched in academic databases, reflecting its relevance in cutting-edge studies.

The synthesis of 2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol involves multi-step organic reactions, often starting from o-phenylenediamine derivatives. Its propyl group enhances lipophilicity, a property critical for improving bioavailability in pharmaceutical formulations. Meanwhile, the aminoethanol moiety introduces hydrogen-bonding capabilities, enabling interactions with biological targets. These attributes have led to its exploration in cancer therapeutics and neuroprotective agents, topics trending in biomedical forums.

Beyond pharmaceuticals, CAS 111678-86-5 is investigated for its role in advanced polymer coatings and corrosion inhibitors. Industries value its ability to form stable complexes with metal ions, a feature leveraged in material science innovations. Environmental sustainability concerns have also driven research into its green synthesis methods, addressing the demand for eco-friendly chemical processes—a hot topic in 2024 chemistry trends.

Analytical characterization of 2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol typically employs HPLC, NMR spectroscopy, and mass spectrometry. These techniques confirm its high purity (>98%), a prerequisite for research applications. The compound's stability under ambient conditions and solubility profile (soluble in DMSO, methanol) further enhance its utility in laboratory settings.

Emerging studies explore the compound's structure-activity relationships (SAR) to optimize its biological efficacy. Computational chemistry tools, including molecular docking simulations, predict its interactions with enzymes like CDK2 and EGFR—targets central to precision medicine developments. Such interdisciplinary approaches resonate with the growing interest in AI-driven drug design.

Regulatory databases list CAS 111678-86-5 as a research-grade chemical, with suppliers providing it in gram-to-kilogram quantities. Proper handling requires standard laboratory safety protocols, though it doesn't fall under restricted categories. Its non-hazardous nature facilitates global shipping, supporting collaborative research efforts.

Future directions for 2-(1-Propyl-1H-benzimidazol-2-yl)aminoethanol include nanocarrier functionalization for drug delivery and photoactive material development. These applications align with searches for "smart materials in healthcare" and "sustainable chemistry solutions," highlighting its cross-disciplinary potential.

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