2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol

C17H26N2O2 — CID 4052484

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(C2=NCCN2)c(O)c1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-5-6-7-12-21-14-8-9-15(16(20)13-14)17-18-10-11-19-17/h8-9,13,20H,2-7,10-12H2,1H3,(H,18,19)
InChIKeyPYEQZBAPTIFGPU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.48
Rot. Bonds9

About 2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol

2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol (PubChem CID 4052484) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol
PubChem CID4052484
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol
SMILESCCCCCCCCOc1ccc(C2=NCCN2)c(O)c1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-5-6-7-12-21-14-8-9-15(16(20)13-14)17-18-10-11-19-17/h8-9,13,20H,2-7,10-12H2,1H3,(H,18,19)
InChIKeyPYEQZBAPTIFGPU-UHFFFAOYSA-N
XLogP3.48
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol (CID 4052484) is 2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol is CCCCCCCCOc1ccc(C2=NCCN2)c(O)c1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol?
The InChIKey is PYEQZBAPTIFGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-4-5-6-7-12-21-14-8-9-15(16(20)13-14)17-18-10-11-19-17/h8-9,13,20H,2-7,10-12H2,1H3,(H,18,19).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol?
2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol has a molecular weight of 290.41 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-5-octoxyphenol is sourced from PubChem (CID 4052484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).