2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol

C24H48N2O2 — CID 3023627

IUPAC2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol
SMILESCCCCCCCCC=CCCCCCCCC1N(CCO)CCN1CCO
InChIInChI=1S/C24H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-25(20-22-27)18-19-26(24)21-23-28/h9-10,24,27-28H,2-8,11-23H2,1H3
InChIKeyLFONRJZTHDXLMG-UHFFFAOYSA-N
MW396.66 g/mol
LogP4.95
Rot. Bonds19

About 2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol

2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol (PubChem CID 3023627) has the molecular formula C24H48N2O2 and a molecular weight of 396.66 g/mol. Its IUPAC name is 2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol
PubChem CID3023627
Molecular FormulaC24H48N2O2
Molecular Weight396.66 g/mol
Exact Mass396.37
IUPAC Name2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol
SMILESCCCCCCCCC=CCCCCCCCC1N(CCO)CCN1CCO
InChIInChI=1S/C24H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-25(20-22-27)18-19-26(24)21-23-28/h9-10,24,27-28H,2-8,11-23H2,1H3
InChIKeyLFONRJZTHDXLMG-UHFFFAOYSA-N
XLogP4.95
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.66
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride
CID 172998925
2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 6437254
2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol
CID 57356059
2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid
CID 19599074
2-[2-[(Z)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 142741314
2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327685
2-heptadecyl-1-octadecyl-3-propylimidazolidine
CID 20661967
2-[3-(2-hydroxyethyl)-2-tridecylimidazolidin-1-yl]ethyl tetradecanoate
CID 122673108
1-butyl-3-hydroxy-2-octadecylimidazolidine
CID 19994284
disodium;hydride;octadec-9-en-1-ol
CID 173039862
2-heptadecyl-1-methyl-3-propylimidazolidine
CID 175060590
(E)-henicos-12-en-1-ol
CID 19702453

Frequently Asked Questions

What is the IUPAC name of 2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol?
The IUPAC name of 2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol (CID 3023627) is 2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol?
The canonical SMILES for 2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol is CCCCCCCCC=CCCCCCCCC1N(CCO)CCN1CCO.
What is the InChIKey of 2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol?
The InChIKey is LFONRJZTHDXLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-25(20-22-27)18-19-26(24)21-23-28/h9-10,24,27-28H,2-8,11-23H2,1H3.
What are the key properties of 2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol?
2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol has a molecular weight of 396.66 g/mol, XLogP of 4.95, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol is sourced from PubChem (CID 3023627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).