1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol

C21H40N2O — CID 101328137

IUPAC1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
SMILESCCCCCC/C=C/CCCCCCCCC1N=CCN1C(C)O
InChIInChI=1S/C21H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22-18-19-23(21)20(2)24/h8-9,18,20-21,24H,3-7,10-17,19H2,1-2H3/b9-8+
InChIKeyKUYDXVBHUQJVGE-CMDGGOBGSA-N
MW336.56 g/mol
LogP5.68
Rot. Bonds15

About 1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol

1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol (PubChem CID 101328137) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
PubChem CID101328137
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Name1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
SMILESCCCCCC/C=C/CCCCCCCCC1N=CCN1C(C)O
InChIInChI=1S/C21H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22-18-19-23(21)20(2)24/h8-9,18,20-21,24H,3-7,10-17,19H2,1-2H3/b9-8+
InChIKeyKUYDXVBHUQJVGE-CMDGGOBGSA-N
XLogP5.68
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 55.68
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-10-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101328096
1-[2-[(E)-heptadec-12-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101328183
1-[2-[(E)-octadec-10-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323584
1-[2-[(E)-octadec-6-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323580
1-[2-[(E)-pentadec-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323314
1-[2-[(E)-hexadec-12-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323407
1-[2-[(E)-dodec-8-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101323045
2-[2-[(E)-pentadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol
CID 101327685
1-[2-[(E)-undec-2-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322978
1-[2-[(E)-oct-4-enyl]-2,4-dihydroimidazol-3-yl]ethanamine
CID 101322833
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol?
The IUPAC name of 1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol (CID 101328137) is 1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol.
What is the SMILES notation for 1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol?
The canonical SMILES for 1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol is CCCCCC/C=C/CCCCCCCCC1N=CCN1C(C)O.
What is the InChIKey of 1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol?
The InChIKey is KUYDXVBHUQJVGE-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22-18-19-23(21)20(2)24/h8-9,18,20-21,24H,3-7,10-17,19H2,1-2H3/b9-8+.
What are the key properties of 1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol?
1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol has a molecular weight of 336.56 g/mol, XLogP of 5.68, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-hexadec-9-enyl]-2,4-dihydroimidazol-3-yl]ethanol is sourced from PubChem (CID 101328137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).