ChemSpider 2D Image | {(4S,5R)-4,5-Bis(4-chlorophenyl)-2-[2-ethoxy-4-(2-methyl-2-propanyl)phenyl]-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl}(1-piperidinyl)methanone | C35H41Cl2N3O2

{(4S,5R)-4,5-Bis(4-chlorophenyl)-2-[2-ethoxy-4-(2-methyl-2-propanyl)phenyl]-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl}(1-piperidinyl)methanone

  • Molecular FormulaC35H41Cl2N3O2
  • Average mass606.625 Da
  • Monoisotopic mass605.257568 Da
  • ChemSpider ID30831880

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(4S,5R)-4,5-Bis(4-chlorophenyl)-2-[2-ethoxy-4-(2-methyl-2-propanyl)phenyl]-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl}(1-piperidinyl)methanone [ACD/IUPAC Name]
{(4S,5R)-4,5-Bis(4-chlorophényl)-2-[2-éthoxy-4-(2-méthyl-2-propanyl)phényl]-4,5-diméthyl-4,5-dihydro-1H-imidazol-1-yl}(1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
{(4S,5R)-4,5-Bis(4-chlorphenyl)-2-[2-ethoxy-4-(2-methyl-2-propanyl)phenyl]-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl}(1-piperidinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1H-imidazol-1-yl]-1-piperidinyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 660.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 353.0±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 174.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.52
ACD/LogD (pH 5.5): 8.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 812717.81
ACD/LogD (pH 7.4): 8.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 819950.00
Polar Surface Area: 45 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 512.0±7.0 cm3

Click to predict properties on the Chemicalize site


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