CAS 1272321-72-8

8-Chloro-2,3,4,5-tetrahydro-3-(phenylmethyl)-1,5-ethano-1H-[1,4]diazepino[1,7-a]benzimidazole

Description:

8-Chloro-2,3,4,5-tetrahydro-3-(phenylmethyl)-1,5-ethano-1H-[1,4]diazepino[1,7-a]benzimidazole is a complex organic compound characterized by its unique bicyclic structure, which incorporates both diazepine and benzimidazole moieties. The presence of a chloro substituent enhances its reactivity and may influence its pharmacological properties. This compound features a tetrahydro configuration, indicating it has a saturated ring system, which contributes to its stability and solubility in various solvents. The phenylmethyl group attached to the diazepine structure suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Its specific stereochemistry and functional groups may impart unique biological activities, potentially including anxiolytic or sedative effects, typical of many diazepine derivatives. The compound's CAS number, 1272321-72-8, allows for precise identification and facilitates research into its synthesis, properties, and potential applications in pharmaceuticals. Overall, this compound exemplifies the intricate relationship between molecular structure and biological activity in drug design.

Formula: C₂₀H₂₀ClN₃

InChI: InChI=1S/C20H20ClN3/c21-16-7-9-19-18(10-16)22-20-15-6-8-17(24(19)20)13-23(12-15)11-14-4-2-1-3-5-14/h1-5,7,9-10,15,17H,6,8,11-13H2

InChI key: InChIKey=UUDDMOPQTYNUCE-UHFFFAOYSA-N

SMILES: C(N1CC2N3C(C(C1)CC2)=NC=4C3=CC=C(Cl)C4)C5=CC=CC=C5

Synonyms:

• 1,5-Ethano-1H-[1,4]diazepino[1,7-a]benzimidazole, 8-chloro-2,3,4,5-tetrahydro-3-(phenylmethyl)-
• 8-Chloro-2,3,4,5-tetrahydro-3-(phenylmethyl)-1,5-ethano-1H-[1,4]diazepino[1,7-a]benzimidazole

3-Benzyl-8-chloro-2,3,4,5-tetrahydro-1H-1,5-ethanobenzo[4,5]imidazo[1,2-d][1,4]diazepine

CAS: 1272321-72-8

Formula: C₂₀H₂₀ClN₃

Molecular weight: 337.8459

Ref: IN-DA000WRZ