ChemSpider 2D Image | 3-{1-[4-(2-Methoxy-5-pyrimidinyl)benzyl]-5-(2-quinolinylmethoxy)-1H-benzimidazol-2-yl}-2,2-dimethylpropanoic acid | C34H31N5O4

3-{1-[4-(2-Methoxy-5-pyrimidinyl)benzyl]-5-(2-quinolinylmethoxy)-1H-benzimidazol-2-yl}-2,2-dimethylpropanoic acid

  • Molecular FormulaC34H31N5O4
  • Average mass573.641 Da
  • Monoisotopic mass573.237610 Da
  • ChemSpider ID58929242

More details:

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

1H-Benzimidazole-2-propanoic acid, 1-[[4-(2-methoxy-5-pyrimidinyl)phenyl]methyl]-α,α-dimethyl-5-(2-quinolinylmethoxy)- [ACD/Index Name]
3-{1-[4-(2-Methoxy-5-pyrimidinyl)benzyl]-5-(2-quinolinylmethoxy)-1H-benzimidazol-2-yl}-2,2-dimethylpropanoic acid [ACD/IUPAC Name]
3-{5-(2-Chinolinylmethoxy)-1-[4-(2-methoxy-5-pyrimidinyl)benzyl]-1H-benzimidazol-2-yl}-2,2-dimethylpropansäure [German] [ACD/IUPAC Name]
Acide 3-{1-[4-(2-méthoxy-5-pyrimidinyl)benzyl]-5-(2-quinoléinylméthoxy)-1H-benzimidazol-2-yl}-2,2-diméthylpropanoïque [French] [ACD/IUPAC 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: 834.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 458.5±37.1 °C
Index of Refraction: 1.656
Molar Refractivity: 164.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 446.35
ACD/KOC (pH 5.5): 1191.09
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 11.10
ACD/KOC (pH 7.4): 29.61
Polar Surface Area: 112 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 447.7±7.0 cm3

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