ChemSpider 2D Image | N-[1-(2-Hydroxy-2-methylpropyl)-5-{[methyl(3-pyridinylmethyl)amino]methyl}-1H-benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)-2-thiophenecarboxamide | C27H29N7O2S

N-[1-(2-Hydroxy-2-methylpropyl)-5-{[methyl(3-pyridinylmethyl)amino]methyl}-1H-benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)-2-thiophenecarboxamide

  • Molecular FormulaC27H29N7O2S
  • Average mass515.630 Da
  • Monoisotopic mass515.210327 Da
  • ChemSpider ID24719168

More details:

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

2-Thiophenecarboxamide, N-[1-(2-hydroxy-2-methylpropyl)-5-[[methyl(3-pyridinylmethyl)amino]methyl]-1H-benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)- [ACD/Index Name]
N-[1-(2-Hydroxy-2-methylpropyl)-5-{[methyl(3-pyridinylmethyl)amino]methyl}-1H-benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[1-(2-Hydroxy-2-methylpropyl)-5-{[methyl(3-pyridinylmethyl)amino]methyl}-1H-benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[1-(2-Hydroxy-2-méthylpropyl)-5-{[méthyl(3-pyridinylméthyl)amino]méthyl}-1H-benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL521695/
N-(1-(2-hydroxy-2-methylpropyl)-5-((methyl(pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-ylidene)-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 738.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 400.4±35.7 °C
Index of Refraction: 1.698
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 15.44
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 42.28
ACD/KOC (pH 7.4): 445.78
Polar Surface Area: 138 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 381.0±7.0 cm3

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