ChemSpider 2D Image | (4-Chloro-2-methylphenyl){1-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinyl}methanone | C21H28ClN3O

(4-Chloro-2-methylphenyl){1-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinyl}methanone

  • Molecular FormulaC21H28ClN3O
  • Average mass373.919 Da
  • Monoisotopic mass373.192078 Da
  • ChemSpider ID29615945

More details:

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

(4-Chlor-2-methylphenyl){1-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinyl}methanon [German] [ACD/IUPAC Name]
(4-Chloro-2-methylphenyl){1-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinyl}methanone [ACD/IUPAC Name]
(4-Chloro-2-méthylphényl){1-[(1-isobutyl-1H-imidazol-5-yl)méthyl]-3-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (4-chloro-2-methylphenyl)[1-[[1-(2-methylpropyl)-1H-imidazol-5-yl]methyl]-3-piperidinyl]- [ACD/Index Name]
(4-chloro-2-methylphenyl){1-[(1-isobutyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}methanone
3-(4-CHLORO-2-METHYLBENZOYL)-1-{[1-(2-METHYLPROPYL)-1H-IMIDAZOL-5-YL]METHYL}PIPERIDINE
3-(4-CHLORO-2-METHYLBENZOYL)-1-{[3-(2-METHYLPROPYL)IMIDAZOL-4-YL]METHYL}PIPERIDINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 539.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.3±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 107.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 2.06
ACD/KOC (pH 5.5): 10.84
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 249.40
ACD/KOC (pH 7.4): 1313.38
Polar Surface Area: 38 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 315.3±7.0 cm3

Click to predict properties on the Chemicalize site


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