2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol

C21H40N2O — CID 141100593

IUPAC2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESCCCCCCCCCCCCCCC=CC1=NCCN1CCO
InChIInChI=1S/C21H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-22-17-18-23(21)19-20-24/h15-16,24H,2-14,17-20H2,1H3
InChIKeyMXBVKWSLYDETIX-UHFFFAOYSA-N
MW336.56 g/mol
LogP5.34
Rot. Bonds16

About 2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol

2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol (PubChem CID 141100593) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol
PubChem CID141100593
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Name2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESCCCCCCCCCCCCCCC=CC1=NCCN1CCO
InChIInChI=1S/C21H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-22-17-18-23(21)19-20-24/h15-16,24H,2-14,17-20H2,1H3
InChIKeyMXBVKWSLYDETIX-UHFFFAOYSA-N
XLogP5.34
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327588
1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
CID 19010192
2-(2-undec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 170849372
2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323609
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)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327706
2-[2-[(E)-octadec-10-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327799
acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67710021
2-heptadec-1-enyl-4,5-dihydroimidazol-1-amine
CID 70356850
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol (CID 141100593) is 2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol is CCCCCCCCCCCCCCC=CC1=NCCN1CCO.
What is the InChIKey of 2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The InChIKey is MXBVKWSLYDETIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-22-17-18-23(21)19-20-24/h15-16,24H,2-14,17-20H2,1H3.
What are the key properties of 2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol?
2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol has a molecular weight of 336.56 g/mol, XLogP of 5.34, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol is sourced from PubChem (CID 141100593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).