ChemSpider 2D Image | 1-(3,4-Dimethylphenyl)-3-(4-{(5E)-5-[5-(4-methyl-1-piperazinyl)-2H-benzimidazol-2-ylidene]-2,5-dihydro-1H-pyrazol-3-yl}phenyl)urea | C30H32N8O

1-(3,4-Dimethylphenyl)-3-(4-{(5E)-5-[5-(4-methyl-1-piperazinyl)-2H-benzimidazol-2-ylidene]-2,5-dihydro-1H-pyrazol-3-yl}phenyl)urea

  • Molecular FormulaC30H32N8O
  • Average mass520.628 Da
  • Monoisotopic mass520.269897 Da
  • ChemSpider ID9730206

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(3,4-Dimethylphenyl)-3-(4-{(5E)-5-[5-(4-methyl-1-piperazinyl)-2H-benzimidazol-2-yliden]-2,5-dihydro-1H-pyrazol-3-yl}phenyl)harnstoff [German] [ACD/IUPAC Name]
1-(3,4-Dimethylphenyl)-3-(4-{(5E)-5-[5-(4-methyl-1-piperazinyl)-2H-benzimidazol-2-ylidene]-2,5-dihydro-1H-pyrazol-3-yl}phenyl)urea [ACD/IUPAC Name]
1-(3,4-Diméthylphényl)-3-(4-{(5E)-5-[5-(4-méthyl-1-pipérazinyl)-2H-benzimidazol-2-ylidène]-2,5-dihydro-1H-pyrazol-3-yl}phényl)urée [French] [ACD/IUPAC Name]
Urea, N-[4-[(5E)-2,5-dihydro-5-[5-(4-methyl-1-piperazinyl)-2H-benzimidazol-2-ylidene]-1H-pyrazol-3-yl]phenyl]-N'-(3,4-dimethylphenyl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.712
Molar Refractivity: 152.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.07
Polar Surface Area: 96 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 388.2±7.0 cm3

Click to predict properties on the Chemicalize site


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