2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol

C21H40N2O — CID 101327706

IUPAC2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCCCCCCCCCCC/C=C/CC1=NCCN1CCO
InChIInChI=1S/C21H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-22-17-18-23(21)19-20-24/h14-15,24H,2-13,16-20H2,1H3/b15-14+
InChIKeyAZMPBLJUWWDDAV-CCEZHUSRSA-N
MW336.56 g/mol
LogP5.34
Rot. Bonds16

About 2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol

2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol (PubChem CID 101327706) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol
PubChem CID101327706
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Name2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol
SMILESCCCCCCCCCCCCC/C=C/CC1=NCCN1CCO
InChIInChI=1S/C21H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-22-17-18-23(21)19-20-24/h14-15,24H,2-13,16-20H2,1H3/b15-14+
InChIKeyAZMPBLJUWWDDAV-CCEZHUSRSA-N
XLogP5.34
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 55.34
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)-tridec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327593
2-[2-[(E)-octadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327795
2-[2-[(E)-octadec-10-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327799
acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67710021
2-[2-[(E)-non-4-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327479
2-[2-[(E)-tridec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327588
2-(2-hexadec-1-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 141100593
2-[2-[(E)-dec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327506
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
CID 158671442
2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
CID 122612770
CID 90309566
CID 90309566

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol (CID 101327706) is 2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol is CCCCCCCCCCCCC/C=C/CC1=NCCN1CCO.
What is the InChIKey of 2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
The InChIKey is AZMPBLJUWWDDAV-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-22-17-18-23(21)19-20-24/h14-15,24H,2-13,16-20H2,1H3/b15-14+.
What are the key properties of 2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol?
2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol has a molecular weight of 336.56 g/mol, XLogP of 5.34, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-hexadec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanol is sourced from PubChem (CID 101327706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).