2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol

C20H39N2O+ — CID 91429955

IUPAC2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol
SMILESCCCCCCCCCCCCCC[n+]1ccn(CCO)c1C
InChIInChI=1S/C20H39N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22(18-19-23)20(21)2/h16-17,23H,3-15,18-19H2,1-2H3/q+1
InChIKeyVYCADPWAGNUFRH-UHFFFAOYSA-N
MW323.55 g/mol
LogP4.78
Rot. Bonds15

About 2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol

2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol (PubChem CID 91429955) has the molecular formula C20H39N2O+ and a molecular weight of 323.55 g/mol. Its IUPAC name is 2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol
PubChem CID91429955
Molecular FormulaC20H39N2O+
Molecular Weight323.55 g/mol
Exact Mass323.31
IUPAC Name2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol
SMILESCCCCCCCCCCCCCC[n+]1ccn(CCO)c1C
InChIInChI=1S/C20H39N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22(18-19-23)20(21)2/h16-17,23H,3-15,18-19H2,1-2H3/q+1
InChIKeyVYCADPWAGNUFRH-UHFFFAOYSA-N
XLogP4.78
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-Hexadecyl-3-methylimidazolium Chloride
CID 2734231
1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride
CID 2734227
1-nonyl-1H-imidazole
CID 193906
1-Methyl-3-tetradecylimidazolium chloride
CID 2734229
Nsc-747269
CID 2734233
1,3-Didecyl-2-methyl-1H-imidazolium chloride
CID 2775940
1-Dodecyl-3-methyl-1H-imidazol-3-ium iodide
CID 16211417
alpha-methyl-1H-imidazole-1-ethanol
CID 109233
1-Methyl-3-octylimidazolium
CID 2734224
2-Methyl-1H-imidazole-1-ethanol
CID 74169
1-Dodecyl-3-methylimidazolium bromide
CID 16749605
(1-methyl-1H-imidazol-2-yl)methanol
CID 573612

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol?
The IUPAC name of 2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol (CID 91429955) is 2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol?
The canonical SMILES for 2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol is CCCCCCCCCCCCCC[n+]1ccn(CCO)c1C.
What is the InChIKey of 2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol?
The InChIKey is VYCADPWAGNUFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22(18-19-23)20(21)2/h16-17,23H,3-15,18-19H2,1-2H3/q+1.
What are the key properties of 2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol?
2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol has a molecular weight of 323.55 g/mol, XLogP of 4.78, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-tetradecylimidazol-3-ium-1-yl)ethanol is sourced from PubChem (CID 91429955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).