1-ethyl-3-nonadecylimidazol-3-ium

C24H47N2+ — CID 87810884

IUPAC1-ethyl-3-nonadecylimidazol-3-ium
SMILESCCCCCCCCCCCCCCCCCCC[n+]1ccn(CC)c1
InChIInChI=1S/C24H47N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-23-22-25(4-2)24-26/h22-24H,3-21H2,1-2H3/q+1
InChIKeyFVGMAOISCDYYLR-UHFFFAOYSA-N
MW363.65 g/mol
LogP7.45
Rot. Bonds19

About 1-ethyl-3-nonadecylimidazol-3-ium

1-ethyl-3-nonadecylimidazol-3-ium (PubChem CID 87810884) has the molecular formula C24H47N2+ and a molecular weight of 363.65 g/mol. Its IUPAC name is 1-ethyl-3-nonadecylimidazol-3-ium.

Molecular Properties

Compound Name1-ethyl-3-nonadecylimidazol-3-ium
PubChem CID87810884
Molecular FormulaC24H47N2+
Molecular Weight363.65 g/mol
Exact Mass363.37
IUPAC Name1-ethyl-3-nonadecylimidazol-3-ium
SMILESCCCCCCCCCCCCCCCCCCC[n+]1ccn(CC)c1
InChIInChI=1S/C24H47N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-23-22-25(4-2)24-26/h22-24H,3-21H2,1-2H3/q+1
InChIKeyFVGMAOISCDYYLR-UHFFFAOYSA-N
XLogP7.45
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.65
LogP ≤ 57.45
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

1-ethyl-3-undecylimidazol-3-ium
CID 87807837
1-butyl-3-ethylimidazol-1-ium
CID 10313448
1-hexadecyl-3-tridecylimidazol-3-ium
CID 87897288
1-dodecyl-3-undecylimidazol-3-ium
CID 87811099
1-tetradecyl-3-[6-(3-tetradecylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102416106
1-icosyl-3-nonadecylimidazol-3-ium
CID 146315901
1-butyl-3-nonadecylimidazol-3-ium
CID 87809769
1-pentyl-3-tridecylimidazol-1-ium
CID 87806959
1-docosyl-3-octadecylimidazol-1-ium
CID 102417147
1-octadecyl-3-undecylimidazol-3-ium
CID 87896154
1,3-dioctylimidazol-1-ium bromide
CID 141246153
1,3-dioctylimidazol-1-ium fluoride
CID 141499000

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-nonadecylimidazol-3-ium?
The IUPAC name of 1-ethyl-3-nonadecylimidazol-3-ium (CID 87810884) is 1-ethyl-3-nonadecylimidazol-3-ium.
What is the SMILES notation for 1-ethyl-3-nonadecylimidazol-3-ium?
The canonical SMILES for 1-ethyl-3-nonadecylimidazol-3-ium is CCCCCCCCCCCCCCCCCCC[n+]1ccn(CC)c1.
What is the InChIKey of 1-ethyl-3-nonadecylimidazol-3-ium?
The InChIKey is FVGMAOISCDYYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-23-22-25(4-2)24-26/h22-24H,3-21H2,1-2H3/q+1.
What are the key properties of 1-ethyl-3-nonadecylimidazol-3-ium?
1-ethyl-3-nonadecylimidazol-3-ium has a molecular weight of 363.65 g/mol, XLogP of 7.45, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-nonadecylimidazol-3-ium is sourced from PubChem (CID 87810884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).