2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol

C18H34N2O — CID 101327588

IUPAC2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCCCCCCCCC/C=C/C1=NCCN1CCO
InChIInChI=1S/C18H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-19-14-15-20(18)16-17-21/h12-13,21H,2-11,14-17H2,1H3/b13-12+
InChIKeyMXZVWHBKHPKKJQ-OUKQBFOZSA-N
MW294.48 g/mol
LogP4.17
Rot. Bonds13

About 2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol

2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol (PubChem CID 101327588) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
PubChem CID101327588
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCCCCCCCCC/C=C/C1=NCCN1CCO
InChIInChI=1S/C18H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-19-14-15-20(18)16-17-21/h12-13,21H,2-11,14-17H2,1H3/b13-12+
InChIKeyMXZVWHBKHPKKJQ-OUKQBFOZSA-N
XLogP4.17
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.17
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-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 141100593
1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
CID 19010192
2-[2-[(E)-octadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323609
2-(2-undec-1-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 170849372
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-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol (CID 101327588) is 2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol is CCCCCCCCCCC/C=C/C1=NCCN1CCO.
What is the InChIKey of 2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The InChIKey is MXZVWHBKHPKKJQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-19-14-15-20(18)16-17-21/h12-13,21H,2-11,14-17H2,1H3/b13-12+.
What are the key properties of 2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol has a molecular weight of 294.48 g/mol, XLogP of 4.17, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol is sourced from PubChem (CID 101327588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).