2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid

C11H10N2O4 — CID 103124324

IUPAC2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-n2cc[nH]c2=O)c1
InChIInChI=1S/C11H10N2O4/c14-10(15)7-17-9-3-1-2-8(6-9)13-5-4-12-11(13)16/h1-6H,7H2,(H,12,16)(H,14,15)
InChIKeyUNNZVJSAXCNTAO-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.63
Rot. Bonds4

About 2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid

2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid (PubChem CID 103124324) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid
PubChem CID103124324
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-n2cc[nH]c2=O)c1
InChIInChI=1S/C11H10N2O4/c14-10(15)7-17-9-3-1-2-8(6-9)13-5-4-12-11(13)16/h1-6H,7H2,(H,12,16)(H,14,15)
InChIKeyUNNZVJSAXCNTAO-UHFFFAOYSA-N
XLogP0.63
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]acetic acid
CID 63266368
2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid
CID 103499601
2-[3-(3-methyl-1,2,4-triazol-4-yl)phenoxy]acetic acid
CID 82513162
2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
CID 82514442
N-ethyl-2-[4-(2-oxo-1H-imidazol-3-yl)phenoxy]-N-phenylacetamide
CID 167872733
2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid
CID 79695787
2-(3-chlorosulfanylphenoxy)acetic acid
CID 19384692
2-[3-(carboxymethylsulfanyl)phenoxy]acetic acid
CID 86229245
2-phenoxyacetic acid;titanium
CID 174896747
2-[3-(3-tert-butylazetidin-1-yl)phenoxy]acetic acid
CID 79694734
2-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)sulfonylphenoxy]acetic acid
CID 21472181
magnesium;hydride;2-phenoxyacetic acid
CID 173069745

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid (CID 103124324) is 2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid is O=C(O)COc1cccc(-n2cc[nH]c2=O)c1.
What is the InChIKey of 2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid?
The InChIKey is UNNZVJSAXCNTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-10(15)7-17-9-3-1-2-8(6-9)13-5-4-12-11(13)16/h1-6H,7H2,(H,12,16)(H,14,15).
What are the key properties of 2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid?
2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid has a molecular weight of 234.21 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxo-1H-imidazol-3-yl)phenoxy]acetic acid is sourced from PubChem (CID 103124324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).