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

C17H33N2O+ — CID 3008074

IUPAC1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol
SMILESCCCCCCCCCCCC[n+]1cc[nH]c1C(C)O
InChIInChI=1S/C17H32N2O/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-18-17(19)16(2)20/h13,15-16,20H,3-12,14H2,1-2H3/p+1
InChIKeyKIRKGCMCHOSQPL-UHFFFAOYSA-O
MW281.46 g/mol
LogP4.28
Rot. Bonds12

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

1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol (PubChem CID 3008074) has the molecular formula C17H33N2O+ and a molecular weight of 281.46 g/mol. Its IUPAC name is 1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol
PubChem CID3008074
Molecular FormulaC17H33N2O+
Molecular Weight281.46 g/mol
Exact Mass281.26
IUPAC Name1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol
SMILESCCCCCCCCCCCC[n+]1cc[nH]c1C(C)O
InChIInChI=1S/C17H32N2O/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-18-17(19)16(2)20/h13,15-16,20H,3-12,14H2,1-2H3/p+1
InChIKeyKIRKGCMCHOSQPL-UHFFFAOYSA-O
XLogP4.28
TPSA39.90 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.28
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
Imidazole-1-ethanol, 2-heptadecyl-
CID 238961
1-Decyl-1H-imidazole-2-methanol
CID 14452952
cyclopropyl(1H-imidazol-2-yl)methanol
CID 80283564

Frequently Asked Questions

What is the IUPAC name of 1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol?
The IUPAC name of 1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol (CID 3008074) is 1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol.
What is the SMILES notation for 1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol?
The canonical SMILES for 1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol is CCCCCCCCCCCC[n+]1cc[nH]c1C(C)O.
What is the InChIKey of 1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol?
The InChIKey is KIRKGCMCHOSQPL-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H32N2O/c1-3-4-5-6-7-8-9-10-11-12-14-19-15-13-18-17(19)16(2)20/h13,15-16,20H,3-12,14H2,1-2H3/p+1.
What are the key properties of 1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol?
1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol has a molecular weight of 281.46 g/mol, XLogP of 4.28, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-dodecyl-1H-imidazol-3-ium-2-yl)ethanol is sourced from PubChem (CID 3008074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).