ChemSpider 2D Image | (2e,5r)-5-[3-(5-Chloropyridin-3-Yl)phenyl]-5-Cyclopropyl-2-Imino-3-Methylimidazolidin-4-One | C18H17ClN4O

(2e,5r)-5-[3-(5-Chloropyridin-3-Yl)phenyl]-5-Cyclopropyl-2-Imino-3-Methylimidazolidin-4-One

  • Molecular FormulaC18H17ClN4O
  • Average mass340.807 Da
  • Monoisotopic mass340.109100 Da
  • ChemSpider ID28501877

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2e,5r)-5-[3-(5-Chloropyridin-3-Yl)phenyl]-5-Cyclopropyl-2-Imino-3-Methylimidazolidin-4-One
(5R)-2-Amino-5-[3-(5-chlor-3-pyridinyl)phenyl]-5-cyclopropyl-3-methyl-3,5-dihydro-4H-imidazol-4-on [German] [ACD/IUPAC Name]
(5R)-2-Amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3-methyl-3,5-dihydro-4H-imidazol-4-one [ACD/IUPAC Name]
(5R)-2-Amino-5-[3-(5-chloro-3-pyridinyl)phényl]-5-cyclopropyl-3-méthyl-3,5-dihydro-4H-imidazol-4-one [French] [ACD/IUPAC Name]
4H-Imidazol-4-one, 2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclopropyl-3,5-dihydro-3-methyl-, (5R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 486.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 248.0±31.5 °C
Index of Refraction: 1.717
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 28.40
ACD/KOC (pH 5.5): 350.95
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.05
ACD/KOC (pH 7.4): 470.20
Polar Surface Area: 69 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 236.4±7.0 cm3

Click to predict properties on the Chemicalize site


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