ChemSpider 2D Image | [(2S)-2-(5-Chloro-4-methyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone | C23H23ClN6O2

[(2S)-2-(5-Chloro-4-methyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone

  • Molecular FormulaC23H23ClN6O2
  • Average mass450.921 Da
  • Monoisotopic mass450.157104 Da
  • ChemSpider ID64854514

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(2S)-2-(5-Chlor-4-methyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]methanon [German] [ACD/IUPAC Name]
[(2S)-2-(5-Chloro-4-methyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone [ACD/IUPAC Name]
[(2S)-2-(5-Chloro-4-méthyl-1H-benzimidazol-2-yl)-2-méthyl-1-pyrrolidinyl][5-méthoxy-2-(2H-1,2,3-triazol-2-yl)phényl]méthanone [French] [ACD/IUPAC Name]
1505484-82-1 [RN]
Methanone, [(2S)-2-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinyl][5-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl]- [ACD/Index Name]
ACT-541468
Nemorexant

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMQ24G57E9 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 747.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 405.9±35.7 °C
Index of Refraction: 1.704
Molar Refractivity: 122.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 90.98
ACD/KOC (pH 5.5): 814.31
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.40
ACD/KOC (pH 7.4): 1059.79
Polar Surface Area: 89 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 316.2±7.0 cm3

Click to predict properties on the Chemicalize site


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