1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol

C13H24N2O — CID 101327870

IUPAC1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESC=CCCCCCCC1=NCCN1C(C)O
InChIInChI=1S/C13H24N2O/c1-3-4-5-6-7-8-9-13-14-10-11-15(13)12(2)16/h3,12,16H,1,4-11H2,2H3
InChIKeyZDXCPSJBTWFNLD-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.57
Rot. Bonds8

About 1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol

1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol (PubChem CID 101327870) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol
PubChem CID101327870
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESC=CCCCCCCC1=NCCN1C(C)O
InChIInChI=1S/C13H24N2O/c1-3-4-5-6-7-8-9-13-14-10-11-15(13)12(2)16/h3,12,16H,1,4-11H2,2H3
InChIKeyZDXCPSJBTWFNLD-UHFFFAOYSA-N
XLogP2.57
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.57
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-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 101323310
1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327942
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328078
1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
2-(2-dec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 101327508
1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323033
1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 70256872
1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 57179033
1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323561
2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid
CID 154332783
1-(1-ethyl-2-henicos-20-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
CID 101330749
N-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)propyl]octadecanamide
CID 177084896

Frequently Asked Questions

What is the IUPAC name of 1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The IUPAC name of 1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol (CID 101327870) is 1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The canonical SMILES for 1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol is C=CCCCCCCC1=NCCN1C(C)O.
What is the InChIKey of 1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol?
The InChIKey is ZDXCPSJBTWFNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-4-5-6-7-8-9-13-14-10-11-15(13)12(2)16/h3,12,16H,1,4-11H2,2H3.
What are the key properties of 1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol?
1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol has a molecular weight of 224.35 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oct-7-enyl-4,5-dihydroimidazol-1-yl)ethanol is sourced from PubChem (CID 101327870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).