1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol

C23H44N2O — CID 101328248

IUPAC1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol
SMILESCCCCC/C=C/CCCCCCCCCCCC1NC=CN1C(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/h7-8,20-24,26H,3-6,9-19H2,1-2H3/b8-7+
InChIKeyAHHASIBKZLMWKS-BQYQJAHWSA-N
MW364.62 g/mol
LogP6.45
Rot. Bonds17

About 1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol

1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol (PubChem CID 101328248) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is 1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol
PubChem CID101328248
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol
SMILESCCCCC/C=C/CCCCCCCCCCCC1NC=CN1C(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/h7-8,20-24,26H,3-6,9-19H2,1-2H3/b8-7+
InChIKeyAHHASIBKZLMWKS-BQYQJAHWSA-N
XLogP6.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 56.45
H-Bond Donors ≤ 52
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)-heptadec-11-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328198
1-[2-[(E)-octadec-11-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328247
1-[2-[(E)-heptadec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328197
1-[2-[(E)-tridec-9-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328030
1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328112
1-[2-[(E)-heptadec-7-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323508
1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323252
1-[2-[(E)-tetradec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328071
1-[2-[(E)-hexadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323422
1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101322989
1-[2-[(E)-non-5-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101322885
1-[2-[(E)-tridec-2-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323172

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
The IUPAC name of 1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol (CID 101328248) is 1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol.
What is the SMILES notation for 1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
The canonical SMILES for 1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol is CCCCC/C=C/CCCCCCCCCCCC1NC=CN1C(C)O.
What is the InChIKey of 1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
The InChIKey is AHHASIBKZLMWKS-BQYQJAHWSA-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/h7-8,20-24,26H,3-6,9-19H2,1-2H3/b8-7+.
What are the key properties of 1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol has a molecular weight of 364.62 g/mol, XLogP of 6.45, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol is sourced from PubChem (CID 101328248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).