ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol

C24H50N2O2 — CID 158671442

IUPACethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1CCO.CCO
InChIInChI=1S/C22H44N2O.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2-3/h25H,2-21H2,1H3;3H,2H2,1H3
InChIKeyIDZSXLMMONCXTH-UHFFFAOYSA-N
MW398.68 g/mol
LogP5.95
Rot. Bonds18

About ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol

ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol (PubChem CID 158671442) has the molecular formula C24H50N2O2 and a molecular weight of 398.68 g/mol. Its IUPAC name is ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol.

Molecular Properties

Compound Nameethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
PubChem CID158671442
Molecular FormulaC24H50N2O2
Molecular Weight398.68 g/mol
Exact Mass398.39
IUPAC Nameethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1CCO.CCO
InChIInChI=1S/C22H44N2O.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2-3/h25H,2-21H2,1H3;3H,2H2,1H3
InChIKeyIDZSXLMMONCXTH-UHFFFAOYSA-N
XLogP5.95
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol 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-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
CID 122612770
CID 90309566
CID 90309566
2-[2-[(E)-tridec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327593
2-[2-[(E)-octadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327795
2-[2-[(E)-octadec-10-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327799
17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol
CID 139606618
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67710021
2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol
CID 15158289
2-[2-[(E)-non-4-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327479
2-[2-[(E)-dec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327506

Frequently Asked Questions

What is the IUPAC name of ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol?
The IUPAC name of ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol (CID 158671442) is ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol.
What is the SMILES notation for ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol?
The canonical SMILES for ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol is CCCCCCCCCCCCCCCCCC1=NCCN1CCO.CCO.
What is the InChIKey of ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol?
The InChIKey is IDZSXLMMONCXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2-3/h25H,2-21H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol?
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol has a molecular weight of 398.68 g/mol, XLogP of 5.95, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol is sourced from PubChem (CID 158671442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).