CAS 1000932-19-3

1-Chloro-3-(chloromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Description:

1-Chloro-3-(chloromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile is a heterocyclic organic compound characterized by its complex structure, which includes a pyridine and benzimidazole moiety. This compound features a chloro group and a chloromethyl group, contributing to its reactivity and potential applications in medicinal chemistry. The presence of a carbonitrile functional group enhances its polarity and can influence its solubility in various solvents. Typically, compounds of this nature exhibit biological activity, making them of interest in pharmaceutical research, particularly for their potential as antitumor or antimicrobial agents. The molecular structure suggests that it may participate in various chemical reactions, including nucleophilic substitutions due to the electrophilic nature of the chloro groups. Additionally, the compound's stability and reactivity can be influenced by the electronic effects of the substituents and the overall molecular geometry. As with many heterocycles, it may also exhibit unique spectroscopic properties, making it suitable for characterization through techniques such as NMR and mass spectrometry.

Formula: C₁₃H₇Cl₂N₃

InChI: InChI=1S/C13H7Cl2N3/c14-6-8-5-12(15)18-11-4-2-1-3-10(11)17-13(18)9(8)7-16/h1-5H,6H2

InChI key: InChIKey=IFRULIYOBFXFSQ-UHFFFAOYSA-N

SMILES: ClC=1N2C(C(C#N)=C(CCl)C1)=NC=3C2=CC=CC3

Synonyms:

• Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-chloro-3-(chloromethyl)-
• 1-Chloro-3-(chloromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile