ChemSpider 2D Image | (5S)-2-Amino-3-methyl-5-[3-(3-pyridinyl)phenyl]-5-(3-thienyl)-3,5-dihydro-4H-imidazol-4-one | C19H16N4OS

(5S)-2-Amino-3-methyl-5-[3-(3-pyridinyl)phenyl]-5-(3-thienyl)-3,5-dihydro-4H-imidazol-4-one

  • Molecular FormulaC19H16N4OS
  • Average mass348.422 Da
  • Monoisotopic mass348.104492 Da
  • ChemSpider ID26325627
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5S)-2-Amino-3-methyl-5-[3-(3-pyridinyl)phenyl]-5-(3-thienyl)-3,5-dihydro-4H-imidazol-4-on [German] [ACD/IUPAC Name]
(5S)-2-Amino-3-methyl-5-[3-(3-pyridinyl)phenyl]-5-(3-thienyl)-3,5-dihydro-4H-imidazol-4-one [ACD/IUPAC Name]
(5S)-2-Amino-3-méthyl-5-[3-(3-pyridinyl)phényl]-5-(3-thiényl)-3,5-dihydro-4H-imidazol-4-one [French] [ACD/IUPAC Name]
(5s)-2-Amino-3-Methyl-5-[3-(Pyridin-3-Yl)phenyl]-5-(Thiophen-3-Yl)-3,5-Dihydro-4h-Imidazol-4-One
4H-Imidazol-4-one, 2-amino-3,5-dihydro-3-methyl-5-[3-(3-pyridinyl)phenyl]-5-(3-thienyl)-, (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: 558.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.4±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 100.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 2.63
ACD/KOC (pH 5.5): 31.41
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 35.82
ACD/KOC (pH 7.4): 427.30
Polar Surface Area: 100 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 257.6±7.0 cm3

Click to predict properties on the Chemicalize site






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