ChemSpider 2D Image | (3E)-4-{[2-(4-Chloro-1H-pyrazol-1-yl)ethyl]amino}-3-{6-[1-(3-fluoropropyl)-4-piperidinyl]-4-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene}-2(3H)-pyridinone | C26H31ClFN7O

(3E)-4-{[2-(4-Chloro-1H-pyrazol-1-yl)ethyl]amino}-3-{6-[1-(3-fluoropropyl)-4-piperidinyl]-4-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene}-2(3H)-pyridinone

  • Molecular FormulaC26H31ClFN7O
  • Average mass512.022 Da
  • Monoisotopic mass511.226257 Da
  • ChemSpider ID13166937

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-4-{[2-(4-Chlor-1H-pyrazol-1-yl)ethyl]amino}-3-{6-[1-(3-fluorpropyl)-4-piperidinyl]-4-methyl-1,3-dihydro-2H-benzimidazol-2-yliden}-2(3H)-pyridinon [German] [ACD/IUPAC Name]
(3E)-4-{[2-(4-Chloro-1H-pyrazol-1-yl)ethyl]amino}-3-{6-[1-(3-fluoropropyl)-4-piperidinyl]-4-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene}-2(3H)-pyridinone [ACD/IUPAC Name]
(3E)-4-{[2-(4-Chloro-1H-pyrazol-1-yl)éthyl]amino}-3-{6-[1-(3-fluoropropyl)-4-pipéridinyl]-4-méthyl-1,3-dihydro-2H-benzimidazol-2-ylidène}-2(3H)-pyridinone [French] [ACD/IUPAC Name]
2(3H)-Pyridinone, 4-[[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino]-3-[6-[1-(3-fluoropropyl)-4-piperidinyl]-1,3-dihydro-4-methyl-2H-benzimidazol-2-ylidene]-, (3E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 558.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.4±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 137.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 4.69
ACD/KOC (pH 7.4): 48.07
Polar Surface Area: 87 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 361.8±7.0 cm3

Click to predict properties on the Chemicalize site


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