ChemSpider 2D Image | 2-{2-[4-(1-Pyrrolidinylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one | C23H26N4O

2-{2-[4-(1-Pyrrolidinylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one

  • Molecular FormulaC23H26N4O
  • Average mass374.479 Da
  • Monoisotopic mass374.210663 Da
  • ChemSpider ID19617224

More details:

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

2-{2-[4-(1-Pyrrolidinylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-on [German] [ACD/IUPAC Name]
2-{2-[4-(1-Pyrrolidinylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one [ACD/IUPAC Name]
2-{2-[4-(1-Pyrrolidinylméthyl)phényl]éthyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazépin-7(4H)-one [French] [ACD/IUPAC Name]
2-{2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
Imidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one, 5,6-dihydro-2-[2-[4-(1-pyrrolidinylmethyl)phenyl]ethyl]- [ACD/Index Name]
G9I

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

Density: 1.3±0.1 g/cm3
Boiling Point: 654.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.5±31.5 °C
Index of Refraction: 1.694
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.09
Polar Surface Area: 50 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 288.4±7.0 cm3

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