acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol

C25H48N2O3 — CID 67710021

IUPACacetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESCC(=O)O.CCCCCCCCC=CCCCCCCCCC1=NCCN1CCO
InChIInChI=1S/C23H44N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-19-20-25(23)21-22-26;1-2(3)4/h9-10,26H,2-8,11-22H2,1H3;1H3,(H,3,4)
InChIKeyQVEMLEZLFXITHM-UHFFFAOYSA-N
MW424.67 g/mol
LogP6.21
Rot. Bonds18

About acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol

acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol (PubChem CID 67710021) has the molecular formula C25H48N2O3 and a molecular weight of 424.67 g/mol. Its IUPAC name is acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol.

Molecular Properties

Compound Nameacetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
PubChem CID67710021
Molecular FormulaC25H48N2O3
Molecular Weight424.67 g/mol
Exact Mass424.37
IUPAC Nameacetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESCC(=O)O.CCCCCCCCC=CCCCCCCCCC1=NCCN1CCO
InChIInChI=1S/C23H44N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-19-20-25(23)21-22-26;1-2(3)4/h9-10,26H,2-8,11-22H2,1H3;1H3,(H,3,4)
InChIKeyQVEMLEZLFXITHM-UHFFFAOYSA-N
XLogP6.21
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 56.21
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)-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
2-[2-[(E)-dec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327506
2-[2-[(E)-non-4-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327479
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
CID 158671442
2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
CID 122612770
CID 90309566
CID 90309566
2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327706
2-[2-[(E)-non-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327482
(E)-4-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethylamino]-4-oxobut-2-enoic acid
CID 122367791

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The IUPAC name of acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol (CID 67710021) is acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol.
What is the SMILES notation for acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The canonical SMILES for acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol is CC(=O)O.CCCCCCCCC=CCCCCCCCCC1=NCCN1CCO.
What is the InChIKey of acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The InChIKey is QVEMLEZLFXITHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-19-20-25(23)21-22-26;1-2(3)4/h9-10,26H,2-8,11-22H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol?
acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol has a molecular weight of 424.67 g/mol, XLogP of 6.21, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol is sourced from PubChem (CID 67710021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).