2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide

C23H47BrN2O — CID 122612770

IUPAC2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCCC1=NCCN1CCO
InChIInChI=1S/C23H46N2O.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-19-20-25(23)21-22-26;/h26H,2-22H2,1H3;1H
InChIKeyZRGPVQMJQXVTEG-UHFFFAOYSA-N
MW447.55 g/mol
LogP6.92
Rot. Bonds19

About 2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide

2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide (PubChem CID 122612770) has the molecular formula C23H47BrN2O and a molecular weight of 447.55 g/mol. Its IUPAC name is 2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide.

Molecular Properties

Compound Name2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
PubChem CID122612770
Molecular FormulaC23H47BrN2O
Molecular Weight447.55 g/mol
Exact Mass446.29
IUPAC Name2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCCC1=NCCN1CCO
InChIInChI=1S/C23H46N2O.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-19-20-25(23)21-22-26;/h26H,2-22H2,1H3;1H
InChIKeyZRGPVQMJQXVTEG-UHFFFAOYSA-N
XLogP6.92
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.55
LogP ≤ 56.92
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

2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
CID 158671442
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-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide?
The IUPAC name of 2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide (CID 122612770) is 2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide.
What is the SMILES notation for 2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide?
The canonical SMILES for 2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide is Br.CCCCCCCCCCCCCCCCCCC1=NCCN1CCO.
What is the InChIKey of 2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide?
The InChIKey is ZRGPVQMJQXVTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-19-20-25(23)21-22-26;/h26H,2-22H2,1H3;1H.
What are the key properties of 2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide?
2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide has a molecular weight of 447.55 g/mol, XLogP of 6.92, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide is sourced from PubChem (CID 122612770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).