ChemSpider 2D Image | N-[4-({3-[2-(Methylamino)-4-pyrimidinyl]-2-pyridinyl}oxy)-1-naphthyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine | C28H20F3N7O

N-[4-({3-[2-(Methylamino)-4-pyrimidinyl]-2-pyridinyl}oxy)-1-naphthyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

  • Molecular FormulaC28H20F3N7O
  • Average mass527.500 Da
  • Monoisotopic mass527.168152 Da
  • ChemSpider ID20563356

More details:

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

1H-Benzimidazol-2-amine, N-[4-[[3-[2-(methylamino)-4-pyrimidinyl]-2-pyridinyl]oxy]-1-naphthalenyl]-6-(trifluoromethyl)- [ACD/Index Name]
N-[4-({3-[2-(Methylamino)-4-pyrimidinyl]-2-pyridinyl}oxy)-1-naphthyl]-6-(trifluormethyl)-1H-benzimidazol-2-amin [German] [ACD/IUPAC Name]
N-[4-({3-[2-(Methylamino)-4-pyrimidinyl]-2-pyridinyl}oxy)-1-naphthyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine [ACD/IUPAC Name]
N-[4-({3-[2-(Méthylamino)-4-pyrimidinyl]-2-pyridinyl}oxy)-1-naphtyl]-6-(trifluorométhyl)-1H-benzimidazol-2-amine [French] [ACD/IUPAC Name]
N-[4-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)naphthalen-1-Yl]-6-(Trifluoromethyl)-1h-Benzimidazol-2-Amine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463323/
K11
N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-6-(trifluoromethyl)-1H-benzo[d]imidazol-2-amine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 741.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 402.1±35.7 °C
Index of Refraction: 1.720
Molar Refractivity: 143.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6047.56
ACD/KOC (pH 5.5): 16133.53
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8333.11
ACD/KOC (pH 7.4): 22230.88
Polar Surface Area: 101 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 363.8±3.0 cm3

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