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

C24H49ClN2O2 — CID 172998925

IUPAC2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride
SMILESCCCCCCCC/C=C/CCCCCCCC1N(CCO)CCN1CCO.Cl
InChIInChI=1S/C24H48N2O2.ClH/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;1H/b10-9+;
InChIKeyKPGIBTFRMDDNBN-RRABGKBLSA-N
MW433.12 g/mol
LogP5.37
Rot. Bonds19

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

2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride (PubChem CID 172998925) has the molecular formula C24H49ClN2O2 and a molecular weight of 433.12 g/mol. Its IUPAC name is 2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride
PubChem CID172998925
Molecular FormulaC24H49ClN2O2
Molecular Weight433.12 g/mol
Exact Mass432.35
IUPAC Name2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride
SMILESCCCCCCCC/C=C/CCCCCCCC1N(CCO)CCN1CCO.Cl
InChIInChI=1S/C24H48N2O2.ClH/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;1H/b10-9+;
InChIKeyKPGIBTFRMDDNBN-RRABGKBLSA-N
XLogP5.37
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.12
LogP ≤ 55.37
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'}

Analyze 2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol
CID 3023627
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
2-[3-(2-hydroxyethyl)-2-[(Z)-octadec-9-enoyl]imidazolidin-1-yl]ethyl (Z)-octadec-9-enoate;hydrochloride
CID 175081948
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride (CID 172998925) is 2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride is CCCCCCCC/C=C/CCCCCCCC1N(CCO)CCN1CCO.Cl.
What is the InChIKey of 2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride?
The InChIKey is KPGIBTFRMDDNBN-RRABGKBLSA-N. The full InChI is InChI=1S/C24H48N2O2.ClH/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;1H/b10-9+;.
What are the key properties of 2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride?
2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride has a molecular weight of 433.12 g/mol, XLogP of 5.37, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 172998925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).