2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid

C14H16N2O5 — CID 43243887

IUPAC2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid
SMILESCC1(C)NC(=O)N(CCOc2ccccc2C(=O)O)C1=O
InChIInChI=1S/C14H16N2O5/c1-14(2)12(19)16(13(20)15-14)7-8-21-10-6-4-3-5-9(10)11(17)18/h3-6H,7-8H2,1-2H3,(H,15,20)(H,17,18)
InChIKeyJDBUPWWVFBYKJZ-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.09
Rot. Bonds5

About 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid

2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid (PubChem CID 43243887) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid
PubChem CID43243887
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid
SMILESCC1(C)NC(=O)N(CCOc2ccccc2C(=O)O)C1=O
InChIInChI=1S/C14H16N2O5/c1-14(2)12(19)16(13(20)15-14)7-8-21-10-6-4-3-5-9(10)11(17)18/h3-6H,7-8H2,1-2H3,(H,15,20)(H,17,18)
InChIKeyJDBUPWWVFBYKJZ-UHFFFAOYSA-N
XLogP1.09
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-3-[2-(2-propanoylphenoxy)ethyl]imidazolidine-2,4-dione
CID 973291
3-[3-(2-aminophenoxy)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43365746
3-[3-[2-(aminomethyl)phenoxy]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43253870
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
[2-(2-methoxyphenyl)-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8657099
3-[2-(2-acetylphenoxy)ethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione
CID 42898066
2-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethoxy]benzoic acid
CID 62927721
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide
CID 18120004
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-propoxyphenyl)acetamide
CID 33082783
3-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 1300284
2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592998
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid (CID 43243887) is 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid is CC1(C)NC(=O)N(CCOc2ccccc2C(=O)O)C1=O.
What is the InChIKey of 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid?
The InChIKey is JDBUPWWVFBYKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-14(2)12(19)16(13(20)15-14)7-8-21-10-6-4-3-5-9(10)11(17)18/h3-6H,7-8H2,1-2H3,(H,15,20)(H,17,18).
What are the key properties of 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid?
2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid has a molecular weight of 292.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethoxy]benzoic acid is sourced from PubChem (CID 43243887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).