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Deprecated ChemSpider Record

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ChemSpider 2D Image | 3-[(7-Carbamimidoyl-2-naphthyl)methyl]-5-({1-[(1Z)-ethanimidoyl]-4-piperidinyl}oxy)-2-methyl-1H-3,1-benzimidazol-3-ium | C27H31N6O


  • Molecular FormulaC27H31N6O
  • Average mass455.574 Da
  • Monoisotopic mass455.255371 Da
  • ChemSpider ID16743797
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

Date of deprecation: 14:51, May 21, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

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

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

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/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
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site