ChemSpider 2D Image | (2e,5r)-5-Cyclopropyl-2-Imino-3-Methyl-5-{3-[5-(Prop-1-Yn-1-Yl)pyridin-3-Yl]phenyl}imidazolidin-4-One | C21H20N4O

(2e,5r)-5-Cyclopropyl-2-Imino-3-Methyl-5-{3-[5-(Prop-1-Yn-1-Yl)pyridin-3-Yl]phenyl}imidazolidin-4-One

  • Molecular FormulaC21H20N4O
  • Average mass344.410 Da
  • Monoisotopic mass344.163696 Da
  • ChemSpider ID28501191

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2e,5r)-5-Cyclopropyl-2-Imino-3-Methyl-5-{3-[5-(Prop-1-Yn-1-Yl)pyridin-3-Yl]phenyl}imidazolidin-4-One
(5R)-2-Amino-5-cyclopropyl-3-methyl-5-{3-[5-(1-propin-1-yl)-3-pyridinyl]phenyl}-3,5-dihydro-4H-imidazol-4-on [German] [ACD/IUPAC Name]
(5R)-2-Amino-5-cyclopropyl-3-methyl-5-{3-[5-(1-propyn-1-yl)-3-pyridinyl]phenyl}-3,5-dihydro-4H-imidazol-4-one [ACD/IUPAC Name]
(5R)-2-Amino-5-cyclopropyl-3-méthyl-5-{3-[5-(1-propyn-1-yl)-3-pyridinyl]phényl}-3,5-dihydro-4H-imidazol-4-one [French] [ACD/IUPAC Name]
4H-Imidazol-4-one, 2-amino-5-cyclopropyl-3,5-dihydro-3-methyl-5-[3-[5-(1-propyn-1-yl)-3-pyridinyl]phenyl]-, (5R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.3±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 102.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 34.26
ACD/KOC (pH 5.5): 400.31
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.33
ACD/KOC (pH 7.4): 541.31
Polar Surface Area: 69 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 274.4±7.0 cm3

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