ChemSpider 2D Image | (2-{[4-({3-[(Diethylamino)methyl]-4-methoxyphenyl}amino)-6-(trifluoromethyl)-2-pyrimidinyl]amino}-1H-benzimidazol-5-yl)(phenyl)methanone | C31H30F3N7O2

(2-{[4-({3-[(Diethylamino)methyl]-4-methoxyphenyl}amino)-6-(trifluoromethyl)-2-pyrimidinyl]amino}-1H-benzimidazol-5-yl)(phenyl)methanone

  • Molecular FormulaC31H30F3N7O2
  • Average mass589.611 Da
  • Monoisotopic mass589.241333 Da
  • ChemSpider ID23122846

More details:

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

(2-{[4-({3-[(Diethylamino)methyl]-4-methoxyphenyl}amino)-6-(trifluormethyl)-2-pyrimidinyl]amino}-1H-benzimidazol-5-yl)(phenyl)methanon [German] [ACD/IUPAC Name]
(2-{[4-({3-[(Diethylamino)methyl]-4-methoxyphenyl}amino)-6-(trifluoromethyl)-2-pyrimidinyl]amino}-1H-benzimidazol-5-yl)(phenyl)methanone [ACD/IUPAC Name]
(2-{[4-({3-[(Diéthylamino)méthyl]-4-méthoxyphényl}amino)-6-(trifluorométhyl)-2-pyrimidinyl]amino}-1H-benzimidazol-5-yl)(phényl)méthanone [French] [ACD/IUPAC Name]
(2-{[4-({3-[(diethylamino)methyl]-4-methoxyphenyl}amino)-6-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-benzimidazol-5-yl)(phenyl)methanone
Methanone, [2-[[4-[[3-[(diethylamino)methyl]-4-methoxyphenyl]amino]-6-(trifluoromethyl)-2-pyrimidinyl]amino]-1H-benzimidazol-5-yl]phenyl- [ACD/Index Name]
{2-[4-(3-Diethylaminomethyl-4-methoxy-phenylamino)-6-trifluoromethyl-pyrimidin-2-ylamino]-1H-benzoimidazol-5-yl}-phenyl-methanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 730.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.6±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 4.33
ACD/KOC (pH 5.5): 12.82
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 34.36
ACD/KOC (pH 7.4): 101.68
Polar Surface Area: 108 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 438.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement