Cas no 886851-32-7 ((1H-1,3-benzodiazol-5-yl)methyl(methyl)amine)

(1H-1,3-Benzodiazol-5-yl)methyl(methyl)amine is a heterocyclic amine derivative featuring a benzimidazole core with a methyl(methyl)amine substituent at the 5-position. This structure imparts versatility in pharmaceutical and agrochemical applications, particularly as a key intermediate in the synthesis of bioactive compounds. The benzimidazole scaffold is known for its stability and ability to participate in hydrogen bonding, enhancing binding affinity in target interactions. The methylamine moiety further contributes to solubility and reactivity, facilitating derivatization. This compound is valued for its potential in developing enzyme inhibitors, receptor modulators, and other biologically active molecules. Its well-defined synthetic route ensures consistent purity and scalability for research and industrial use.
(1H-1,3-benzodiazol-5-yl)methyl(methyl)amine structure
886851-32-7 structure
Product Name:(1H-1,3-benzodiazol-5-yl)methyl(methyl)amine
CAS No:886851-32-7
MF:C9H11N3
MW:161.203741312027
CID:712922
PubChem ID:18525787
Update Time:2025-05-20

(1H-1,3-benzodiazol-5-yl)methyl(methyl)amine Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-6-methanamine, N-methyl-
    • 1-(3H-benzimidazol-5-yl)-N-methylmethanamine
    • (1H-1,3-benzodiazol-5-yl)methyl(methyl)amine
    • N-Methyl-1H-benzimidazole-6-methanamine
    • 1-(1H-Benzo[d]imidazol-5-yl)-N-methylmethanamine
    • EN300-1255056
    • DTXSID901280024
    • MPAIZHGFGBOOQJ-UHFFFAOYSA-N
    • AKOS012217840
    • [(1H-1,3-benzodiazol-5-yl)methyl](methyl)amine
    • 886851-32-7
    • (1H-benzo[d]imidazol-5-yl)-N-methylmethanamine
    • SCHEMBL1254631
    • Inchi: 1S/C9H11N3/c1-10-5-7-2-3-8-9(4-7)12-6-11-8/h2-4,6,10H,5H2,1H3,(H,11,12)
    • InChI Key: MPAIZHGFGBOOQJ-UHFFFAOYSA-N
    • SMILES: N1C=NC2=CC=C(C=C12)CNC

Computed Properties

  • Exact Mass: 161.095297364g/mol
  • Monoisotopic Mass: 161.095297364g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 149
  • 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: 0.7
  • Topological Polar Surface Area: 40.7?2

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Additional information on (1H-1,3-benzodiazol-5-yl)methyl(methyl)amine

(1H-1,3-benzodiazol-5-yl)methyl(methyl)amine (CAS No. 886851-32-7): An Overview of a Promising Compound in Medicinal Chemistry

(1H-1,3-benzodiazol-5-yl)methyl(methyl)amine (CAS No. 886851-32-7) is a versatile compound that has garnered significant attention in the field of medicinal chemistry due to its unique structural features and potential therapeutic applications. This compound, often referred to as Benzodiazolylmethylamine, belongs to the class of benzodiazepines, which are widely known for their diverse biological activities, including anxiolytic, sedative, and anticonvulsant properties.

The chemical structure of (1H-1,3-benzodiazol-5-yl)methyl(methyl)amine consists of a benzodiazepine ring system linked to a methylamine group through a methyl bridge. This specific arrangement confers the compound with unique pharmacological properties that differentiate it from other members of the benzodiazepine family. Recent studies have highlighted its potential in various therapeutic areas, making it a subject of intense research and development.

One of the key areas of interest for (1H-1,3-benzodiazol-5-yl)methyl(methyl)amine is its role in the treatment of neurological disorders. Research has shown that this compound can modulate the activity of GABA receptors, which are central to the regulation of neuronal excitability. By enhancing GABAergic transmission, (1H-1,3-benzodiazol-5-yl)methyl(methyl)amine may offer new avenues for treating conditions such as anxiety disorders, epilepsy, and sleep disorders.

In addition to its neurological applications, (1H-1,3-benzodiazol-5-yl)methyl(methyl)amine has also been explored for its potential in cancer research. Preliminary studies have indicated that this compound can exhibit anti-proliferative effects on certain types of cancer cells. The mechanism behind this activity is not yet fully understood but is believed to involve the modulation of cell signaling pathways and apoptosis induction. These findings suggest that (1H-1,3-benzodiazol-5-yl)methyl(methyl)amine could be a valuable lead compound for the development of novel anticancer agents.

The synthesis and characterization of (1H-1,3-benzodiazol-5-yl)methyl(methyl)amine have been well-documented in the literature. Various synthetic routes have been developed to produce this compound with high purity and yield. One common approach involves the reaction of 5-(bromomethyl)-1H-benzodiazole with methylamine in the presence of a suitable base. The resulting product is then purified using standard techniques such as column chromatography or recrystallization.

The physicochemical properties of (1H-1,3-benzodiazol-5-yl)methyl(methyl)amine have also been extensively studied. It is a colorless solid with a molecular weight of approximately 207 g/mol. The compound exhibits good solubility in organic solvents such as methanol and dimethyl sulfoxide (DMSO), making it suitable for various experimental applications. Its melting point and other physical characteristics have been determined through rigorous analytical methods.

In terms of safety and toxicity, preliminary assessments suggest that (1H-1,3-benzodiazol-5-yl)methyl(methyl)amine has a favorable safety profile at therapeutic doses. However, as with any new chemical entity (NCE), comprehensive safety evaluations are essential before it can be considered for clinical use. Ongoing preclinical studies are focused on elucidating its pharmacokinetic properties and potential side effects.

The future prospects for (1H-1,3-benzodiazol-5-yl)methyl(methyl)amine are promising. Its unique combination of structural features and biological activities positions it as a potential candidate for further drug development. Collaborative efforts between academic researchers and pharmaceutical companies are underway to optimize its properties and explore its therapeutic potential in various disease models.

In conclusion, (1H-1,3-benzodiazol-5-yl)methyl(methyl)amine (CAS No. 886851-32-7) is an intriguing compound with significant potential in medicinal chemistry. Its ability to modulate GABA receptors and exhibit anti-proliferative effects makes it a valuable target for further research and development. As more studies are conducted, it is likely that new applications and insights will emerge, contributing to the advancement of drug discovery and therapeutic innovation.

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