2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol

C20H38N2O — CID 101327685

IUPAC2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
SMILESCCCCC/C=C/CCCCCCCCC1N=CCN1CCO
InChIInChI=1S/C20H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-21-16-17-22(20)18-19-23/h6-7,16,20,23H,2-5,8-15,17-19H2,1H3/b7-6+
InChIKeySKLJKNXNJSNDLX-VOTSOKGWSA-N
MW322.54 g/mol
LogP4.95
Rot. Bonds15

About 2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol

2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol (PubChem CID 101327685) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
PubChem CID101327685
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
SMILESCCCCC/C=C/CCCCCCCCC1N=CCN1CCO
InChIInChI=1S/C20H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-21-16-17-22(20)18-19-23/h6-7,16,20,23H,2-5,8-15,17-19H2,1H3/b7-6+
InChIKeySKLJKNXNJSNDLX-VOTSOKGWSA-N
XLogP4.95
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 54.95
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

2-[2-[(E)-undec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327543
2-(2-decyl-2,4-dihydroimidazol-3-yl)ethanol
CID 101327445
2-[2-[(E)-octadec-7-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323631
2-[2-[(E)-undec-5-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323011
2-[2-[(E)-pentadec-10-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323362
2-[2-[(E)-dodec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323074
2-[2-[(E)-heptadec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323530
1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101328137
2-[2-[(E)-tridec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323196
2-[2-[(E)-dodec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323072
2-[2-[(E)-oct-3-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322853
2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol
CID 3023627

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol?
The IUPAC name of 2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol (CID 101327685) is 2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol?
The canonical SMILES for 2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol is CCCCC/C=C/CCCCCCCCC1N=CCN1CCO.
What is the InChIKey of 2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol?
The InChIKey is SKLJKNXNJSNDLX-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-21-16-17-22(20)18-19-23/h6-7,16,20,23H,2-5,8-15,17-19H2,1H3/b7-6+.
What are the key properties of 2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol?
2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol has a molecular weight of 322.54 g/mol, XLogP of 4.95, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol is sourced from PubChem (CID 101327685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).