structure of 6-bromo-1,2-dimethyl-1H-benzo[d]imidazole

6-bromo-1,2-dimethyl-1H-benzo[d]imidazole

CAS No.: 99512-64-8
M. Wt: 225.08500
M. Fa: C9H9BrN2
InChI Key: XXPOCWQCTILEQZ-UHFFFAOYSA-N
Appearance: Gray Solid

Names and Identifiers of 99512-64-8

CAS Number

99512-64-8

MDL Number

MFCD16250431

IUPAC Name

6-bromo-1,2-dimethylbenzimidazole

InChI

InChI=1S/C9H9BrN2/c1-6-11-8-4-3-7(10)5-9(8)12(6)2/h3-5H,1-2H3

InChIKey

XXPOCWQCTILEQZ-UHFFFAOYSA-N

Canonical SMILES

CC1=NC2=C(N1C)C=C(C=C2)Br

UNSPSC Code

12352100

Physical and chemical properties of 99512-64-8

Exact Mass

223.99500

H Bond Acceptors

1

H Bond Donors

0

LogP

2.64420

Molecular Formula

C9H9BrN2

Molecular Weight

225.08500

PSA

17.82000

Safety Information of 99512-64-8

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 99512-64-8

6-Bromo-1,2-dimethyl-1H-benzo[d]imidazole has several applications:

  • Pharmaceuticals: Due to its biological activity, it is explored as a lead compound in drug discovery for cancer treatment and antimicrobial agents.
  • Material Science: Its unique structural properties make it suitable for developing novel materials with specific functionalities.
  • Chemical Research: The compound serves as an important intermediate in organic synthesis for creating more complex molecules.

Interaction Studies of 99512-64-8

Studies on the interactions of 6-bromo-1,2-dimethyl-1H-benzo[d]imidazole reveal its ability to bind to various proteins and enzymes:

  • Kinase Inhibition: It has been shown to inhibit key kinases involved in cell signaling pathways, affecting cellular processes such as growth and survival.
  • Enzyme Modulation: The compound interacts with enzymes related to metabolic pathways, leading to changes in cellular metabolism and function.

Biological Activity of 99512-64-8

The biological activity of 6-bromo-1,2-dimethyl-1H-benzo[d]imidazole is notable, particularly in its interactions with various biological targets:

  • Anticancer Properties: This compound has demonstrated potential in inhibiting key kinases involved in cancer cell proliferation, such as epidermal growth factor receptor (EGFR) and cyclin-dependent kinase 2 (CDK2), leading to cell cycle arrest and apoptosis in cancer cells.
  • Antimicrobial Activity: It exhibits antibacterial and antifungal properties, making it a candidate for further exploration in antimicrobial therapy.
  • Anti-inflammatory Effects: The compound has shown promise in reducing inflammation through modulation of relevant biochemical pathways.

Physical sample testing spectrum (NMR) of 99512-64-8

Physical sample testing spectrum (NMR) of 99512-64-8

Retrosynthesis analysis of 99512-64-8

  • Route#1

    Cas:337915-79-4
    Cas:99512-64-8