3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid

C12H12N2O5 — CID 62023502

IUPAC3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1CN1C(=O)CNC1=O
InChIInChI=1S/C12H12N2O5/c1-19-9-3-2-7(11(16)17)4-8(9)6-14-10(15)5-13-12(14)18/h2-4H,5-6H2,1H3,(H,13,18)(H,16,17)
InChIKeyDGUVFYXKGCYIAG-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.45
Rot. Bonds4

About 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid

3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid (PubChem CID 62023502) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid
PubChem CID62023502
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1CN1C(=O)CNC1=O
InChIInChI=1S/C12H12N2O5/c1-19-9-3-2-7(11(16)17)4-8(9)6-14-10(15)5-13-12(14)18/h2-4H,5-6H2,1H3,(H,13,18)(H,16,17)
InChIKeyDGUVFYXKGCYIAG-UHFFFAOYSA-N
XLogP0.45
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.45
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

3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62023908
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
CID 62019516
4-methoxy-3-[(4-methyl-6-oxopyrimidin-1-yl)methyl]benzoic acid
CID 62024053
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid
CID 62019164
4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 17430256
3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-4-methoxybenzoic acid
CID 63556801
4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 63971622
3-[(dimethylamino)methyl]-4-methoxybenzoic acid;hydrochloride
CID 46736545
N-[(3,4-dimethoxyphenyl)methyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
CID 18145563
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid (CID 62023502) is 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1CN1C(=O)CNC1=O.
What is the InChIKey of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid?
The InChIKey is DGUVFYXKGCYIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-19-9-3-2-7(11(16)17)4-8(9)6-14-10(15)5-13-12(14)18/h2-4H,5-6H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid?
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid has a molecular weight of 264.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid is sourced from PubChem (CID 62023502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).