1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol

C19H37N2O+ — CID 91550431

IUPAC1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol
SMILESCCCCCCCCCCCCCC[n+]1cc[nH]c1C(C)O
InChIInChI=1S/C19H36N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-20-19(21)18(2)22/h15,17-18,22H,3-14,16H2,1-2H3/p+1
InChIKeyUDOILCYZJCDZLF-UHFFFAOYSA-O
MW309.52 g/mol
LogP5.06
Rot. Bonds14

About 1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol

1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol (PubChem CID 91550431) has the molecular formula C19H37N2O+ and a molecular weight of 309.52 g/mol. Its IUPAC name is 1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol
PubChem CID91550431
Molecular FormulaC19H37N2O+
Molecular Weight309.52 g/mol
Exact Mass309.29
IUPAC Name1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol
SMILESCCCCCCCCCCCCCC[n+]1cc[nH]c1C(C)O
InChIInChI=1S/C19H36N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-20-19(21)18(2)22/h15,17-18,22H,3-14,16H2,1-2H3/p+1
InChIKeyUDOILCYZJCDZLF-UHFFFAOYSA-O
XLogP5.06
TPSA39.90 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.52
LogP ≤ 55.06
H-Bond Donors ≤ 52
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

1H-Imidazole, 2-heptadecyl-
CID 90068
1-(1H-imidazol-2-yl)ethan-1-ol
CID 15055958
2-(3-Decyl-2-methylimidazol-3-ium-1-yl)ethanol bromide
CID 168278777
12-Imidazolyl-1-dodecanol
CID 25269122
1-(1H-imidazol-2-yl)propan-1-ol
CID 17913133
1-(1H-imidazol-2-yl)-2-methylpropan-1-ol hydrochloride
CID 155970578
2-Tridecylimidazole
CID 21847234
1-(1H-imidazol-2-yl)propan-2-ol
CID 22055139
1-(1H-imidazol-2-yl)-2,2-dimethylpropan-1-ol
CID 45091832
1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol
CID 3008074
Imidazole-1-ethanol, 2-heptadecyl-
CID 238961
1-Decyl-1H-imidazole-2-methanol
CID 14452952

Frequently Asked Questions

What is the IUPAC name of 1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol?
The IUPAC name of 1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol (CID 91550431) is 1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol.
What is the SMILES notation for 1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol?
The canonical SMILES for 1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol is CCCCCCCCCCCCCC[n+]1cc[nH]c1C(C)O.
What is the InChIKey of 1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol?
The InChIKey is UDOILCYZJCDZLF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H36N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-20-19(21)18(2)22/h15,17-18,22H,3-14,16H2,1-2H3/p+1.
What are the key properties of 1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol?
1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol has a molecular weight of 309.52 g/mol, XLogP of 5.06, 14 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tetradecyl-1H-imidazol-3-ium-2-yl)ethanol is sourced from PubChem (CID 91550431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).