ChemSpider 2D Image | 3-[(5-Methoxy-1H-benzimidazol-2-yl)methyl]-7-(trifluoromethyl)-4(3H)-quinazolinone | C18H13F3N4O2

3-[(5-Methoxy-1H-benzimidazol-2-yl)methyl]-7-(trifluoromethyl)-4(3H)-quinazolinone

  • Molecular FormulaC18H13F3N4O2
  • Average mass374.317 Da
  • Monoisotopic mass374.099060 Da
  • ChemSpider ID22763070

More details:






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

3-[(5-Methoxy-1H-benzimidazol-2-yl)methyl]-7-(trifluormethyl)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
3-[(5-Methoxy-1H-benzimidazol-2-yl)methyl]-7-(trifluoromethyl)-4(3H)-quinazolinone [ACD/IUPAC Name]
3-[(5-Méthoxy-1H-benzimidazol-2-yl)méthyl]-7-(trifluorométhyl)-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-7-(trifluoromethyl)- [ACD/Index Name]
3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-7-(trifluoromethyl)quinazolin-4(3H)-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 598.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.7±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 90.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 83.97
ACD/KOC (pH 5.5): 725.98
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.29
ACD/KOC (pH 7.4): 1152.38
Polar Surface Area: 71 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 250.1±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement