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

C23H44N2O — CID 6435853

IUPAC2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCC1=NCCN1CCO
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/h9-10,26H,2-8,11-22H2,1H3/b10-9-
InChIKeyXRRROBQIQXHHHV-KTKRTIGZSA-N
MW364.62 g/mol
LogP6.12
Rot. Bonds18

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

2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol (PubChem CID 6435853) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is 2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol
PubChem CID6435853
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCC1=NCCN1CCO
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/h9-10,26H,2-8,11-22H2,1H3/b10-9-
InChIKeyXRRROBQIQXHHHV-KTKRTIGZSA-N
XLogP6.12
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 56.12
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol (CID 6435853) is 2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol is CCCCCCCC/C=C\CCCCCCCCC1=NCCN1CCO.
What is the InChIKey of 2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The InChIKey is XRRROBQIQXHHHV-KTKRTIGZSA-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/h9-10,26H,2-8,11-22H2,1H3/b10-9-.
What are the key properties of 2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol has a molecular weight of 364.62 g/mol, XLogP of 6.12, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol is sourced from PubChem (CID 6435853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).