ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate

C15H18N2O4 — CID 117468952

IUPACethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccccc1-n1c(C)cn(C)c1=O
InChIInChI=1S/C15H18N2O4/c1-4-21-14(19)13(18)11-7-5-6-8-12(11)17-10(2)9-16(3)15(17)20/h5-9,13,18H,4H2,1-3H3
InChIKeyOAPMIEFPHWYEMY-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.08
Rot. Bonds4

About ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate

ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate (PubChem CID 117468952) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate
PubChem CID117468952
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccccc1-n1c(C)cn(C)c1=O
InChIInChI=1S/C15H18N2O4/c1-4-21-14(19)13(18)11-7-5-6-8-12(11)17-10(2)9-16(3)15(17)20/h5-9,13,18H,4H2,1-3H3
InChIKeyOAPMIEFPHWYEMY-UHFFFAOYSA-N
XLogP1.08
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 2-hydroxy-2-[2-(1,2,4-triazol-1-yl)phenyl]acetate
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ethyl 2-hydroxy-2-(2-pentan-3-ylphenyl)acetate
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ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate
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ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117302711
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
CID 117300125
ethyl 2-(2-cyanophenyl)-2-hydroxyacetate
CID 75251664
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate
CID 11708776

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate (CID 117468952) is ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1ccccc1-n1c(C)cn(C)c1=O.
What is the InChIKey of ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate?
The InChIKey is OAPMIEFPHWYEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-21-14(19)13(18)11-7-5-6-8-12(11)17-10(2)9-16(3)15(17)20/h5-9,13,18H,4H2,1-3H3.
What are the key properties of ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate?
ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate has a molecular weight of 290.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3,5-dimethyl-2-oxoimidazol-1-yl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117468952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).