2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol

C23H44N2O — CID 101327840

IUPAC2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol
SMILESC=CCCCCCCCCCCCCCCCCC1NC=CN1CCO
InChIInChI=1S/C23H44N2O/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/h2,19-20,23-24,26H,1,3-18,21-22H2
InChIKeyRBZXWUMPENLTIM-UHFFFAOYSA-N
MW364.62 g/mol
LogP6.11
Rot. Bonds19

About 2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol

2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol (PubChem CID 101327840) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is 2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol
PubChem CID101327840
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol
SMILESC=CCCCCCCCCCCCCCCCCC1NC=CN1CCO
InChIInChI=1S/C23H44N2O/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/h2,19-20,23-24,26H,1,3-18,21-22H2
InChIKeyRBZXWUMPENLTIM-UHFFFAOYSA-N
XLogP6.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 56.11
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

2-[2-[(E)-tridec-7-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327618
2-[2-[(E)-dodec-5-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327581
2-[2-[(E)-tridec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327617
2-[2-[(E)-dec-4-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327521
1-(2-non-8-enyl-1,2-dihydroimidazol-3-yl)ethanol
CID 101327908
2-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323652
2-[2-[(E)-heptadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323554
2-[2-[(E)-pentadec-6-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323372
2-[2-[(E)-dec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101322960
2-[2-[(E)-dodec-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327577
2-[2-[(E)-non-1-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101327492
2-(3-ethyl-2-pentadec-14-enyl-1,2-dihydroimidazol-3-ium-3-yl)ethanol
CID 101330223

Frequently Asked Questions

What is the IUPAC name of 2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol?
The IUPAC name of 2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol (CID 101327840) is 2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol?
The canonical SMILES for 2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol is C=CCCCCCCCCCCCCCCCCC1NC=CN1CCO.
What is the InChIKey of 2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol?
The InChIKey is RBZXWUMPENLTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O/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/h2,19-20,23-24,26H,1,3-18,21-22H2.
What are the key properties of 2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol?
2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol has a molecular weight of 364.62 g/mol, XLogP of 6.11, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octadec-17-enyl-1,2-dihydroimidazol-3-yl)ethanol is sourced from PubChem (CID 101327840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).