ChemSpider 2D Image | (3S)-1-[2''-(4-Methoxyphenyl)-1H,3'H,3''H-2,5':2',5''-terbenzimidazol-6-yl]-3-pyrrolidinaminium | C32H29N8O

(3S)-1-[2''-(4-Methoxyphenyl)-1H,3'H,3''H-2,5':2',5''-terbenzimidazol-6-yl]-3-pyrrolidinaminium

  • Molecular FormulaC32H29N8O
  • Average mass541.625 Da
  • Monoisotopic mass541.245911 Da
  • ChemSpider ID4451416

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-[2''-(4-Methoxyphenyl)-1H,3'H,3''H-2,5':2',5''-terbenzimidazol-6-yl]-3-pyrrolidinaminium [ACD/IUPAC Name]
(3S)-1-[2''-(4-Methoxyphenyl)-1H,3'H,3''H-2,5':2',5''-terbenzimidazol-6-yl]-3-pyrrolidinaminium [German] [ACD/IUPAC Name]
(3S)-1-[2''-(4-Méthoxyphényl)-1H,3'H,3''H-2,5':2',5''-terbenzimidazol-6-yl]-3-pyrrolidinaminium [French] [ACD/IUPAC Name]
3-Pyrrolidinaminium, 1-[2''-(4-methoxyphenyl)[2,6':2',6''-ter-1H-benzimidazol]-6-yl]-, (3S)- [ACD/Index Name]
2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE
TRIBIZ

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

Density:
Boiling Point: 902.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.3±3.0 kJ/mol
Flash Point: 499.9±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.25
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 11.78
Polar Surface Area: 126 Å2
Polarizability:
Surface Tension:
Molar Volume:

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