ChemSpider 2D Image | 2-(3,4-Dichlorophenyl)-1-[(4S)-4-(1-pyrrolidinylmethyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]ethanone | C19H22Cl2N4O

2-(3,4-Dichlorophenyl)-1-[(4S)-4-(1-pyrrolidinylmethyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]ethanone

  • Molecular FormulaC19H22Cl2N4O
  • Average mass393.310 Da
  • Monoisotopic mass392.117065 Da
  • ChemSpider ID23162003

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(3,4-Dichlorophenyl)-1-[(4S)-4-(1-pyrrolidinylmethyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]ethanone [ACD/IUPAC Name]
2-(3,4-Dichlorophényl)-1-[(4S)-4-(1-pyrrolidinylméthyl)-1,4,6,7-tétrahydro-5H-imidazo[4,5-c]pyridin-5-yl]éthanone [French] [ACD/IUPAC Name]
2-(3,4-dichlorophenyl)-1-[(4S)-4-(pyrrolidin-1-ylmethyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]ethanone
2-(3,4-Dichlorphenyl)-1-[(4S)-4-(1-pyrrolidinylmethyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(3,4-dichlorophenyl)-1-[(4S)-1,4,6,7-tetrahydro-4-(1-pyrrolidinylmethyl)-5H-imidazo[4,5-c]pyridin-5-yl]- [ACD/Index Name]
(R)-2-(3,4-Dichloro-phenyl)-1-(4-pyrrolidin-1-ylmethyl-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridin-5-yl)-ethanone(BRL 52974)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 642.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.4±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 102.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 16.86
ACD/KOC (pH 7.4): 131.39
Polar Surface Area: 52 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 288.1±3.0 cm3

Click to predict properties on the Chemicalize site


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