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

C23H44N2O — CID 67317165

IUPAC1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESCCCCCCCCC=CCCCCCCCCC1=NCCN1C(C)O
InChIInChI=1S/C23H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-20-21-25(23)22(2)26/h10-11,22,26H,3-9,12-21H2,1-2H3
InChIKeyNZPIQKUHZVXACL-UHFFFAOYSA-N
MW364.62 g/mol
LogP6.47
Rot. Bonds17

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

1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol (PubChem CID 67317165) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is 1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
PubChem CID67317165
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESCCCCCCCCC=CCCCCCCCCC1=NCCN1C(C)O
InChIInChI=1S/C23H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-20-21-25(23)22(2)26/h10-11,22,26H,3-9,12-21H2,1-2H3
InChIKeyNZPIQKUHZVXACL-UHFFFAOYSA-N
XLogP6.47
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328078
1-[2-[(E)-hexadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328122
1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328167
1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327942
1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
1-[2-[(E)-heptadec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323480
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323302
(Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride
CID 173221987
1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323033
1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 101327870
1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323561
2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
CID 19844003

Frequently Asked Questions

What is the IUPAC name of 1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The IUPAC name of 1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol (CID 67317165) is 1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The canonical SMILES for 1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol is CCCCCCCCC=CCCCCCCCCC1=NCCN1C(C)O.
What is the InChIKey of 1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The InChIKey is NZPIQKUHZVXACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-20-21-25(23)22(2)26/h10-11,22,26H,3-9,12-21H2,1-2H3.
What are the key properties of 1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol?
1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol has a molecular weight of 364.62 g/mol, XLogP of 6.47, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol is sourced from PubChem (CID 67317165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).