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Search term: YFCMSHPEVDOMQA-VGOFRKELSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[(1R)-1-(2,6-Dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-2-piperidinyl]phenyl}-1H-benzimidazole | C27H27Cl2N3O

1-[(1R)-1-(2,6-Dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-2-piperidinyl]phenyl}-1H-benzimidazole

  • Molecular FormulaC27H27Cl2N3O
  • Average mass480.429 Da
  • Monoisotopic mass479.153107 Da
  • ChemSpider ID123962334

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(1R)-1-(2,6-Dichlor-3-methoxyphenyl)ethyl]-6-{2-[(2R)-2-piperidinyl]phenyl}-1H-benzimidazol [German] [ACD/IUPAC Name]
1-[(1R)-1-(2,6-Dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-2-piperidinyl]phenyl}-1H-benzimidazole [ACD/IUPAC Name]
1-[(1R)-1-(2,6-Dichloro-3-méthoxyphényl)éthyl]-6-{2-[(2R)-2-pipéridinyl]phényl}-1H-benzimidazole [French] [ACD/IUPAC Name]
1H-Benzimidazole, 1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-[2-[(2R)-2-piperidinyl]phenyl]- [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: 641.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.5±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 30.03
ACD/KOC (pH 5.5): 52.99
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 252.79
ACD/KOC (pH 7.4): 446.01
Polar Surface Area: 39 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 367.8±7.0 cm3

Click to predict properties on the Chemicalize site


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