ChemSpider 2D Image | 2,2'-(2-Imino-1H-benzimidazole-1,3(2H)-diyl)bis[N-(adamantan-1-yl)acetamide] | C31H41N5O2

2,2'-(2-Imino-1H-benzimidazole-1,3(2H)-diyl)bis[N-(adamantan-1-yl)acetamide]

  • Molecular FormulaC31H41N5O2
  • Average mass515.690 Da
  • Monoisotopic mass515.326050 Da
  • ChemSpider ID331937

More details:

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

1H-Benzimidazole-1,3(2H)-diacetamide, 2-imino-N1,N3-ditricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
2,2'-(2-Imino-1H-benzimidazol-1,3(2H)-diyl)bis[N-(adamantan-1-yl)acetamid] [German] [ACD/IUPAC Name]
2,2'-(2-Imino-1H-benzimidazole-1,3(2H)-diyl)bis[N-(adamantan-1-yl)acetamide] [ACD/IUPAC Name]
2,2'-(2-Imino-1H-benzimidazole-1,3(2H)-diyl)bis[N-(adamantan-1-yl)acétamide] [French] [ACD/IUPAC Name]
1H-Benzimidazole-1,3(2H)-diacetamide, 2-imino-N,N'-ditricyclo[3.3.1.13,7]dec-1-yl-

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

AIDS140239 [DBID]
AIDS-140239 [DBID]
NCI60_017998 [DBID]
NSC651609 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.801
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 4.87
ACD/KOC (pH 5.5): 29.54
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 19.28
ACD/KOC (pH 7.4): 116.89
Polar Surface Area: 89 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 69.3±7.0 dyne/cm
Molar Volume: 335.9±7.0 cm3

Click to predict properties on the Chemicalize site


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