2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol

C16H33N2O+ — CID 57265843

IUPAC2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
SMILESCCCCCCCCCCC[N+]1(CCO)C=NCC1
InChIInChI=1S/C16H33N2O/c1-2-3-4-5-6-7-8-9-10-12-18(14-15-19)13-11-17-16-18/h16,19H,2-15H2,1H3/q+1
InChIKeyXXQCYWFEQYXWEL-UHFFFAOYSA-N
MW269.45 g/mol
LogP3.37
Rot. Bonds12

About 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol

2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol (PubChem CID 57265843) has the molecular formula C16H33N2O+ and a molecular weight of 269.45 g/mol. Its IUPAC name is 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
PubChem CID57265843
Molecular FormulaC16H33N2O+
Molecular Weight269.45 g/mol
Exact Mass269.26
IUPAC Name2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
SMILESCCCCCCCCCCC[N+]1(CCO)C=NCC1
InChIInChI=1S/C16H33N2O/c1-2-3-4-5-6-7-8-9-10-12-18(14-15-19)13-11-17-16-18/h16,19H,2-15H2,1H3/q+1
InChIKeyXXQCYWFEQYXWEL-UHFFFAOYSA-N
XLogP3.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 53.37
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_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol?
The IUPAC name of 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol (CID 57265843) is 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol.
What is the SMILES notation for 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol?
The canonical SMILES for 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol is CCCCCCCCCCC[N+]1(CCO)C=NCC1.
What is the InChIKey of 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol?
The InChIKey is XXQCYWFEQYXWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N2O/c1-2-3-4-5-6-7-8-9-10-12-18(14-15-19)13-11-17-16-18/h16,19H,2-15H2,1H3/q+1.
What are the key properties of 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol?
2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol has a molecular weight of 269.45 g/mol, XLogP of 3.37, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol is sourced from PubChem (CID 57265843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).