2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol

C27H52N4O2 — CID 66793985

IUPAC2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1CCO.OCCn1ccnc1
InChIInChI=1S/C22H44N2O.C5H8N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;8-4-3-7-2-1-6-5-7/h25H,2-21H2,1H3;1-2,5,8H,3-4H2
InChIKeyGBZAFLFWMXIZOR-UHFFFAOYSA-N
MW464.74 g/mol
LogP5.83
Rot. Bonds20

About 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol

2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol (PubChem CID 66793985) has the molecular formula C27H52N4O2 and a molecular weight of 464.74 g/mol. Its IUPAC name is 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol.

Molecular Properties

Compound Name2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol
PubChem CID66793985
Molecular FormulaC27H52N4O2
Molecular Weight464.74 g/mol
Exact Mass464.41
IUPAC Name2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol
SMILESCCCCCCCCCCCCCCCCCC1=NCCN1CCO.OCCn1ccnc1
InChIInChI=1S/C22H44N2O.C5H8N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;8-4-3-7-2-1-6-5-7/h25H,2-21H2,1H3;1-2,5,8H,3-4H2
InChIKeyGBZAFLFWMXIZOR-UHFFFAOYSA-N
XLogP5.83
TPSA73.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.74
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol?
The IUPAC name of 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol (CID 66793985) is 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol.
What is the SMILES notation for 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol?
The canonical SMILES for 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol is CCCCCCCCCCCCCCCCCC1=NCCN1CCO.OCCn1ccnc1.
What is the InChIKey of 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol?
The InChIKey is GBZAFLFWMXIZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O.C5H8N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;8-4-3-7-2-1-6-5-7/h25H,2-21H2,1H3;1-2,5,8H,3-4H2.
What are the key properties of 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol?
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol has a molecular weight of 464.74 g/mol, XLogP of 5.83, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol;2-imidazol-1-ylethanol is sourced from PubChem (CID 66793985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).