ChemSpider 2D Image | 5,5'-(4,4'-Biphenyldiyl)bis{2-[(2S)-2-pyrrolidinyl]-1H-imidazole} | C26H28N6

5,5'-(4,4'-Biphenyldiyl)bis{2-[(2S)-2-pyrrolidinyl]-1H-imidazole}

  • Molecular FormulaC26H28N6
  • Average mass424.541 Da
  • Monoisotopic mass424.237549 Da
  • ChemSpider ID44253202

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Imidazole, 5,5'-[1,1'-biphenyl]-4,4'-diylbis[2-[(2S)-2-pyrrolidinyl]- [ACD/Index Name]
5,5'-(4,4'-Biphenyldiyl)bis{2-[(2S)-2-pyrrolidinyl]-1H-imidazol} [German] [ACD/IUPAC Name]
5,5'-(4,4'-Biphenyldiyl)bis{2-[(2S)-2-pyrrolidinyl]-1H-imidazole} [ACD/IUPAC Name]
5,5'-(4,4'-Biphényldiyl)bis{2-[(2S)-2-pyrrolidinyl]-1H-imidazole} [French] [ACD/IUPAC Name]
1007882-27-0 [RN]
4,4''-Bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,1''-biphenyl
4,4'-Bis(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,1'-biphenyl

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

Density: 1.2±0.1 g/cm3
Boiling Point: 848.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 466.6±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 347.4±3.0 cm3

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