ChemSpider 2D Image | (5R)-2-Amino-5-(1H-indol-3-ylmethyl)-1,5-dihydro-4H-imidazol-4-one | C12H12N4O

(5R)-2-Amino-5-(1H-indol-3-ylmethyl)-1,5-dihydro-4H-imidazol-4-one

  • Molecular FormulaC12H12N4O
  • Average mass228.250 Da
  • Monoisotopic mass228.101105 Da
  • ChemSpider ID44210793

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-2-Amino-5-(1H-indol-3-ylmethyl)-1,5-dihydro-4H-imidazol-4-on [German] [ACD/IUPAC Name]
(5R)-2-Amino-5-(1H-indol-3-ylmethyl)-1,5-dihydro-4H-imidazol-4-one [ACD/IUPAC Name]
(5R)-2-Amino-5-(1H-indol-3-ylméthyl)-1,5-dihydro-4H-imidazol-4-one [French] [ACD/IUPAC Name]
4H-Imidazol-4-one, 2-amino-1,5-dihydro-5-(1H-indol-3-ylmethyl)-, (5R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 471.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.1±26.5 °C
Index of Refraction: 1.777
Molar Refractivity: 62.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.32
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 36.04
Polar Surface Area: 83 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 148.5±7.0 cm3

Click to predict properties on the Chemicalize site


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