ChemSpider 2D Image | (4S)-1-Allyl-4-{1-[3-(2,3-dimethylphenoxy)propyl]-1H-benzimidazol-2-yl}-2-pyrrolidinone | C25H29N3O2

(4S)-1-Allyl-4-{1-[3-(2,3-dimethylphenoxy)propyl]-1H-benzimidazol-2-yl}-2-pyrrolidinone

  • Molecular FormulaC25H29N3O2
  • Average mass403.517 Da
  • Monoisotopic mass403.225983 Da
  • ChemSpider ID62562855

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-1-Allyl-4-{1-[3-(2,3-dimethylphenoxy)propyl]-1H-benzimidazol-2-yl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
(4S)-1-Allyl-4-{1-[3-(2,3-dimethylphenoxy)propyl]-1H-benzimidazol-2-yl}-2-pyrrolidinone [ACD/IUPAC Name]
(4S)-1-Allyl-4-{1-[3-(2,3-diméthylphénoxy)propyl]-1H-benzimidazol-2-yl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 4-[1-[3-(2,3-dimethylphenoxy)propyl]-1H-benzimidazol-2-yl]-1-(2-propen-1-yl)-, (4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 641.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.6±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 120.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 1892.15
ACD/KOC (pH 5.5): 6897.40
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2787.20
ACD/KOC (pH 7.4): 10160.12
Polar Surface Area: 47 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 348.2±7.0 cm3

Click to predict properties on the Chemicalize site


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