ChemSpider 2D Image | 1-[(7-Carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidinyl)oxy]-2-methyl-1H-benzimidazol-1-ium | C27H31N6O

1-[(7-Carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidinyl)oxy]-2-methyl-1H-benzimidazol-1-ium

  • Molecular FormulaC27H31N6O
  • Average mass455.574 Da
  • Monoisotopic mass455.255371 Da
  • ChemSpider ID21542323
  • Charge - Charge


More details:






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

1-[(7-Carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidinyl)oxy]-2-methyl-1H-benzimidazol-1-ium [ACD/IUPAC Name]
1-[(7-Carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidinyl)oxy]-2-methyl-1H-benzimidazol-1-ium [German] [ACD/IUPAC Name]
1-[(7-Carbamimidoyl-2-naphtyl)méthyl]-6-[(1-ethanimidoyl-4-pipéridinyl)oxy]-2-méthyl-1H-benzimidazol-1-ium [French] [ACD/IUPAC Name]
1H-Benzimidazolium, 3-[[7-(aminoiminomethyl)-2-naphthalenyl]methyl]-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-methyl- [ACD/Index Name]
1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-[(1-ethanimidoylpiperidin-4-yl)oxy]-2-methyl-1,3-benzodiazol-1-ium

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

ZK-806711 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 106 Å2
Polarizability:
Surface Tension:
Molar Volume:

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