ChemSpider 2D Image | 4-[(3,5-Dimethylphenyl)({1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[(1-methyl-4-piperidinyl)amino]-1H-benzimidazol-5-yl}methyl)amino]butanamide | C33H43N7O2

4-[(3,5-Dimethylphenyl)({1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[(1-methyl-4-piperidinyl)amino]-1H-benzimidazol-5-yl}methyl)amino]butanamide

  • Molecular FormulaC33H43N7O2
  • Average mass569.740 Da
  • Monoisotopic mass569.347839 Da
  • ChemSpider ID9471031

More details:

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

4-[(3,5-Dimethylphenyl)({1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[(1-methyl-4-piperidinyl)amino]-1H-benzimidazol-5-yl}methyl)amino]butanamid [German] [ACD/IUPAC Name]
4-[(3,5-Dimethylphenyl)({1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[(1-methyl-4-piperidinyl)amino]-1H-benzimidazol-5-yl}methyl)amino]butanamide [ACD/IUPAC Name]
4-[(3,5-Diméthylphényl)({1-[(3-hydroxy-6-méthyl-2-pyridinyl)méthyl]-2-[(1-méthyl-4-pipéridinyl)amino]-1H-benzimidazol-5-yl}méthyl)amino]butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-[(3,5-dimethylphenyl)[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[(1-methyl-4-piperidinyl)amino]-1H-benzimidazol-5-yl]methyl]amino]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 863.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 476.3±37.1 °C
Index of Refraction: 1.650
Molar Refractivity: 165.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 2.42
ACD/KOC (pH 5.5): 9.28
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 133.51
ACD/KOC (pH 7.4): 511.15
Polar Surface Area: 113 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 454.7±7.0 cm3

Click to predict properties on the Chemicalize site


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