ChemSpider 2D Image | (2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One | C21H18N4O

(2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One

  • Molecular FormulaC21H18N4O
  • Average mass342.394 Da
  • Monoisotopic mass342.148071 Da
  • ChemSpider ID28501177

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2e,5r)-2-Imino-3-Methyl-5-Phenyl-5-[3-(Pyridin-3-Yl)phenyl]imidazolidin-4-One
(5R)-2-Amino-3-methyl-5-phenyl-5-[3-(3-pyridinyl)phenyl]-3,5-dihydro-4H-imidazol-4-on [German] [ACD/IUPAC Name]
(5R)-2-Amino-3-methyl-5-phenyl-5-[3-(3-pyridinyl)phenyl]-3,5-dihydro-4H-imidazol-4-one [ACD/IUPAC Name]
(5R)-2-Amino-3-méthyl-5-phényl-5-[3-(3-pyridinyl)phényl]-3,5-dihydro-4H-imidazol-4-one [French] [ACD/IUPAC Name]
4H-Imidazol-4-one, 2-amino-3,5-dihydro-3-methyl-5-phenyl-5-[3-(3-pyridinyl)phenyl]-, (5R)- [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: 511.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.2±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 31.25
ACD/KOC (pH 5.5): 372.29
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.26
ACD/KOC (pH 7.4): 515.45
Polar Surface Area: 69 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 275.3±7.0 cm3

Click to predict properties on the Chemicalize site


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