4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium

C25H35Cl2N2+ — CID 86719663

IUPAC4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium
SMILESCCCCCCCCCC[n+]1cn(C2(CC)C=Cc3ccccc3C2)c(Cl)c1Cl
InChIInChI=1S/C25H35Cl2N2/c1-3-5-6-7-8-9-10-13-18-28-20-29(24(27)23(28)26)25(4-2)17-16-21-14-11-12-15-22(21)19-25/h11-12,14-17,20H,3-10,13,18-19H2,1-2H3/q+1
InChIKeyWNVAIEONYQCWDR-UHFFFAOYSA-N
MW434.48 g/mol
LogP7.60
Rot. Bonds11

About 4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium

4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium (PubChem CID 86719663) has the molecular formula C25H35Cl2N2+ and a molecular weight of 434.48 g/mol. Its IUPAC name is 4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium.

Molecular Properties

Compound Name4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium
PubChem CID86719663
Molecular FormulaC25H35Cl2N2+
Molecular Weight434.48 g/mol
Exact Mass433.22
IUPAC Name4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium
SMILESCCCCCCCCCC[n+]1cn(C2(CC)C=Cc3ccccc3C2)c(Cl)c1Cl
InChIInChI=1S/C25H35Cl2N2/c1-3-5-6-7-8-9-10-13-18-28-20-29(24(27)23(28)26)25(4-2)17-16-21-14-11-12-15-22(21)19-25/h11-12,14-17,20H,3-10,13,18-19H2,1-2H3/q+1
InChIKeyWNVAIEONYQCWDR-UHFFFAOYSA-N
XLogP7.60
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.48
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-1-(2-ethyl-1H-naphthalen-2-yl)-3-pentylimidazol-3-ium bromide
CID 86719652
1-butyl-4,5-dichloro-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium
CID 86719651
4,5-dichloro-1-decyl-3-(2-methylnaphthalen-1-yl)imidazol-1-ium
CID 89158108
2-tetradecyl-1H-isoquinoline
CID 67229467
1-butyl-4,5-dichloro-3-(2-ethylnaphthalen-1-yl)imidazol-1-ium bromide
CID 86719632
7-decan-2-yl-7-methylbenzo[7]annulene
CID 142436722
1-hexylimidazo[1,2-a]pyridin-1-ium bromide
CID 174220974
1-dodecyl-2-[3-(1-dodecylpyridin-1-ium-2-yl)propyl]pyridin-1-ium diiodide
CID 11007274
10-dodecyl-3-N,3-N,3-N',3-N'-tetramethyl-4H-acridin-10-ium-3,3-diamine
CID 67699359
1,3-di(undecyl)benzimidazol-3-ium
CID 139045147
1-decyl-2-ethylpyridin-1-ium cyanide
CID 171570055
2-bromo-1-octadecylpyridin-1-ium
CID 159905409

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium?
The IUPAC name of 4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium (CID 86719663) is 4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium.
What is the SMILES notation for 4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium?
The canonical SMILES for 4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium is CCCCCCCCCC[n+]1cn(C2(CC)C=Cc3ccccc3C2)c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium?
The InChIKey is WNVAIEONYQCWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35Cl2N2/c1-3-5-6-7-8-9-10-13-18-28-20-29(24(27)23(28)26)25(4-2)17-16-21-14-11-12-15-22(21)19-25/h11-12,14-17,20H,3-10,13,18-19H2,1-2H3/q+1.
What are the key properties of 4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium?
4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium has a molecular weight of 434.48 g/mol, XLogP of 7.60, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-decyl-3-(2-ethyl-1H-naphthalen-2-yl)imidazol-1-ium is sourced from PubChem (CID 86719663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).