[(2S)-2-(6-Chloro-7-methyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
[CAS# 1505484-82-1]

Identification

• Name: [(2S)-2-(6-Chloro-7-methyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
• Synonyms: ACT-541468; Daridorexant; Nemorexant
• Molecular Formula: C₂₃H₂₃ClN₆O₂
• Molecular Weight: 450.92
• CAS Registry Number: 1505484-82-1
• EC Number: 879-120-8
• SMILES: C[C@@]1(N(C(=O)C2=C(C=CC(OC)=C2)N3N=CC=N3)CCC1)C=4NC=5C(N4)=CC=C(Cl)C5C

Properties

• Solubility: Insoluble (5.4E^-4 g/L g/L) (25 ºC), Calc.^*
• pKa: 10.47±0.30 (Most acidic 25 ºC), Calc.^*
• Density: 1.42±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Boiling point: 747.6±70.0 ºC (760 Torr), Calc.^*
• Flash point: 405.9±35.7 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Chronic hazardous to the aquatic environment	Aquatic Chronic	4	H413