1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride

C17H33ClN2 — CID 140597925

IUPAC1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride
SMILESCCCCCCCCCCCC[NH+]1C=CN=C1CC.[Cl-]
InChIInChI=1S/C17H32N2.ClH/c1-3-5-6-7-8-9-10-11-12-13-15-19-16-14-18-17(19)4-2;/h14,16H,3-13,15H2,1-2H3;1H
InChIKeyNUYBXFSBHIWSQV-UHFFFAOYSA-N
MW300.92 g/mol
LogP1.09
Rot. Bonds12

About 1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride

1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride (PubChem CID 140597925) has the molecular formula C17H33ClN2 and a molecular weight of 300.92 g/mol. Its IUPAC name is 1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride
PubChem CID140597925
Molecular FormulaC17H33ClN2
Molecular Weight300.92 g/mol
Exact Mass300.23
IUPAC Name1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride
SMILESCCCCCCCCCCCC[NH+]1C=CN=C1CC.[Cl-]
InChIInChI=1S/C17H32N2.ClH/c1-3-5-6-7-8-9-10-11-12-13-15-19-16-14-18-17(19)4-2;/h14,16H,3-13,15H2,1-2H3;1H
InChIKeyNUYBXFSBHIWSQV-UHFFFAOYSA-N
XLogP1.09
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.92
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-1H-imidazol-1-ium chloride
CID 11737372
1-octyl-1H-imidazol-1-ium chloride
CID 15801194
2-(2-undecyl-1H-imidazol-1-ium-1-yl)propanenitrile
CID 18786239
1,2-Didodecyl-1-ethylimidazol-1-ium chloride
CID 23092161
1,2-Didodecyl-1-ethylimidazol-1-ium
CID 23092162
1,2-Didodecyl-1-methylimidazol-1-ium chloride
CID 23092163
1,2-Didodecyl-1-methylimidazol-1-ium
CID 23092164
2-methyl-1-octyl-1H-imidazol-1-ium chloride
CID 66602370
2-butyl-1-methyl-1H-imidazol-1-ium chloride
CID 66620565
2-hexyl-1-methyl-1H-imidazol-1-ium iodide
CID 66652284
1-hexadecyl-1H-imidazol-1-ium bromide
CID 66717879
1-hexyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955748

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride?
The IUPAC name of 1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride (CID 140597925) is 1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride?
The canonical SMILES for 1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride is CCCCCCCCCCCC[NH+]1C=CN=C1CC.[Cl-].
What is the InChIKey of 1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride?
The InChIKey is NUYBXFSBHIWSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2.ClH/c1-3-5-6-7-8-9-10-11-12-13-15-19-16-14-18-17(19)4-2;/h14,16H,3-13,15H2,1-2H3;1H.
What are the key properties of 1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride?
1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride has a molecular weight of 300.92 g/mol, XLogP of 1.09, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-ethyl-1H-imidazol-1-ium chloride is sourced from PubChem (CID 140597925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).