ChemSpider 2D Image | (5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-amino-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one | C20H25N3O

(5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-amino-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one

  • Molecular FormulaC20H25N3O
  • Average mass323.432 Da
  • Monoisotopic mass323.199768 Da
  • ChemSpider ID26325854
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-amino-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-on [German] [ACD/IUPAC Name]
(5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-amino-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one [ACD/IUPAC Name]
(5S)-5-[(3R,5R,7R)-Adamantan-1-yl]-2-amino-3-méthyl-5-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-tricyclo[3.3.1.13,7]dec-1-yl-, (5S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 465.4±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.3±29.6 °C
Index of Refraction: 1.733
Molar Refractivity: 92.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 4.75
ACD/KOC (pH 5.5): 38.09
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 102.87
ACD/KOC (pH 7.4): 824.67
Polar Surface Area: 59 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 231.4±7.0 cm3

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