ChemSpider 2D Image | (4S,5R)-4,5-Bis(2-iodo-4-methoxyphenyl)-4,5-dihydro-1H-imidazole | C17H16I2N2O2

(4S,5R)-4,5-Bis(2-iodo-4-methoxyphenyl)-4,5-dihydro-1H-imidazole

  • Molecular FormulaC17H16I2N2O2
  • Average mass534.130 Da
  • Monoisotopic mass533.930115 Da
  • ChemSpider ID9908898

  • 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(2-iod-4-methoxyphenyl)-4,5-dihydro-1H-imidazol [German] [ACD/IUPAC Name]
(4S,5R)-4,5-Bis(2-iodo-4-methoxyphenyl)-4,5-dihydro-1H-imidazole [ACD/IUPAC Name]
(4S,5R)-4,5-Bis(2-iodo-4-méthoxyphényl)-4,5-dihydro-1H-imidazole [French] [ACD/IUPAC Name]
1H-Imidazole, 4,5-dihydro-4,5-bis(2-iodo-4-methoxyphenyl)-, (4S,5R)- [ACD/Index Name]
4,5-Bis-(2-iodo-4-methoxy-phenyl)-4,5-dihydro-1H-imidazole

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

Density: 1.9±0.1 g/cm3
Boiling Point: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.7±30.1 °C
Index of Refraction: 1.701
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 7.65
ACD/KOC (pH 5.5): 40.60
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 20.38
ACD/KOC (pH 7.4): 108.15
Polar Surface Area: 43 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 276.6±7.0 cm3

Click to predict properties on the Chemicalize site


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