1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone

C14H16N2O3 — CID 618372

IUPAC1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone
SMILESCCOc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1
InChIInChI=1S/C14H16N2O3/c1-4-19-12-7-5-11(6-8-12)14-15-9(2)13(10(3)17)16(14)18/h5-8,18H,4H2,1-3H3
InChIKeyHKJRIKJIVTYNNB-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.70
Rot. Bonds4

About 1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone

1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone (PubChem CID 618372) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone
PubChem CID618372
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone
SMILESCCOc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1
InChIInChI=1S/C14H16N2O3/c1-4-19-12-7-5-11(6-8-12)14-15-9(2)13(10(3)17)16(14)18/h5-8,18H,4H2,1-3H3
InChIKeyHKJRIKJIVTYNNB-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone (CID 618372) is 1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone is CCOc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone?
The InChIKey is HKJRIKJIVTYNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-19-12-7-5-11(6-8-12)14-15-9(2)13(10(3)17)16(14)18/h5-8,18H,4H2,1-3H3.
What are the key properties of 1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone?
1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone has a molecular weight of 260.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)-3-hydroxy-5-methylimidazol-4-yl]ethanone is sourced from PubChem (CID 618372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).