2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol

C27H54N2O — CID 67140518

IUPAC2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESCCCCCCCCCCCCCCCCCCCCCCC1=NCCN1CCO
InChIInChI=1S/C27H54N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-28-23-24-29(27)25-26-30/h30H,2-26H2,1H3
InChIKeyNKWCUHVDGUEBBX-UHFFFAOYSA-N
MW422.74 g/mol
LogP7.90
Rot. Bonds23

About 2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol

2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol (PubChem CID 67140518) has the molecular formula C27H54N2O and a molecular weight of 422.74 g/mol. Its IUPAC name is 2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
PubChem CID67140518
Molecular FormulaC27H54N2O
Molecular Weight422.74 g/mol
Exact Mass422.42
IUPAC Name2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
SMILESCCCCCCCCCCCCCCCCCCCCCCC1=NCCN1CCO
InChIInChI=1S/C27H54N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-28-23-24-29(27)25-26-30/h30H,2-26H2,1H3
InChIKeyNKWCUHVDGUEBBX-UHFFFAOYSA-N
XLogP7.90
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
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
17-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]heptadecan-7-ol
CID 139606618
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
acetic acid;2-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67710021
2-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]ethanol
CID 15158289
2-[2-[(E)-non-4-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327479
2-[2-[(E)-dec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327506

Frequently Asked Questions

What is the IUPAC name of 2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol?
The IUPAC name of 2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol (CID 67140518) is 2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol?
The canonical SMILES for 2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol is CCCCCCCCCCCCCCCCCCCCCCC1=NCCN1CCO.
What is the InChIKey of 2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol?
The InChIKey is NKWCUHVDGUEBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-28-23-24-29(27)25-26-30/h30H,2-26H2,1H3.
What are the key properties of 2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol?
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol has a molecular weight of 422.74 g/mol, XLogP of 7.90, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol is sourced from PubChem (CID 67140518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).