structure of 3-Bromopyrimido[1,2-a]benzimidazole

3-Bromopyrimido[1,2-a]benzimidazole

CAS No.: 1000932-35-3
M. Wt: 248.07900
M. Fa: C10H6BrN3
InChI Key: VEXDSLZOKLRXIT-UHFFFAOYSA-N

Names and Identifiers of 3-Bromopyrimido[1,2-a]benzimidazole

CAS Number

1000932-35-3

IUPAC Name

3-bromopyrimido[1,2-a]benzimidazole

InChI

InChI=1S/C10H6BrN3/c11-7-5-12-10-13-8-3-1-2-4-9(8)14(10)6-7/h1-6H

InChIKey

VEXDSLZOKLRXIT-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C2C(=C1)N=C3N2C=C(C=N3)Br

Physical and chemical properties of 3-Bromopyrimido[1,2-a]benzimidazole

Exact Mass

246.97500

LogP

2.64500

Molecular Formula

C10H6BrN3

Molecular Weight

248.07900

PSA

30.19000

Safety Information of 3-Bromopyrimido[1,2-a]benzimidazole

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 3-Bromopyrimido[1,2-a]benzimidazole

The applications of 3-bromopyrimido[1,2-a]benzimidazole span several fields:

  • Pharmaceuticals: Due to its biological activity, it is being investigated for potential use in developing new antimicrobial and anticancer drugs.
  • Material Science: Its unique properties may also lend themselves to applications in organic electronics or as precursors in polymer synthesis.
  • Research Tool: It serves as a valuable intermediate for synthesizing other complex heterocyclic compounds used in various research applications.

Interaction Studies of 3-Bromopyrimido[1,2-a]benzimidazole

Interaction studies have focused on the compound's ability to bind with various biological targets. For instance:

  • Enzyme Inhibition: Studies have shown that derivatives can inhibit specific enzymes involved in cancer cell proliferation.
  • Receptor Binding: The compound's structure allows it to interact with cellular receptors, potentially modulating signaling pathways associated with disease states.

These interactions underscore the compound's potential as a lead structure for drug development.

Biological Activity of 3-Bromopyrimido[1,2-a]benzimidazole

3-Bromopyrimido[1,2-a]benzimidazole exhibits significant biological activity, particularly as an antimicrobial and anticancer agent. Research indicates that derivatives of this compound can inhibit the growth of various cancer cell lines and possess antibacterial properties. The unique structural features allow for interaction with biological targets, making it a subject of interest in drug discovery.

Retrosynthesis analysis of 3-Bromopyrimido[1,2-a]benzimidazole

  • Route#1

    Cas:886365-88-4
    Cas:1000932-35-3
  • Route#2

    Cas:62-53-3
    Cas:1000932-35-3