2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

C12H12N2O4 — CID 3426586

IUPAC2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCc1ccc(N2CC(=O)N(CC(=O)O)C2=O)cc1
InChIInChI=1S/C12H12N2O4/c1-8-2-4-9(5-3-8)13-6-10(15)14(12(13)18)7-11(16)17/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyAVDYKBZFGFSBPF-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.85
Rot. Bonds3

About 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 3426586) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID3426586
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCc1ccc(N2CC(=O)N(CC(=O)O)C2=O)cc1
InChIInChI=1S/C12H12N2O4/c1-8-2-4-9(5-3-8)13-6-10(15)14(12(13)18)7-11(16)17/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyAVDYKBZFGFSBPF-UHFFFAOYSA-N
XLogP0.85
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-(p-tolyl)acetamide
CID 2162395
(3-benzyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid
CID 6472386
5-(4-Dimethylamino-benzylidene)-imidazolidine-2,4-dione
CID 745258
1-Acetyl-3-phenylimidazolidine-2,4-dione
CID 890978
Butilfenin
CID 47894
1-Methyl-3-[3-(trifluoromethyl)phenyl]-2,4,5-imidazolidinetrione
CID 7038758
(Z)-5-(4-(diethylamino)benzylidene)imidazolidine-2,4-dione
CID 5961114
2-(3-((3-Nitrophenyl)methyl)-2,4,5-trioxoimidazolidin-1-yl)acetic acid
CID 9926581
[4-Methylene-3-(3-nitro-benzyl)-2,5-dioxo-imidazolidin-1-yl]-acetic acid
CID 10494769
1-Imidazolidineacetic acid, 4-oxo-3-phenyl-2-thioxo-
CID 73139
Ibritumomab
CID 92002593
1-P-Tolyl-imidazolidine-2,4-dione
CID 759335

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 3426586) is 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is Cc1ccc(N2CC(=O)N(CC(=O)O)C2=O)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is AVDYKBZFGFSBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-8-2-4-9(5-3-8)13-6-10(15)14(12(13)18)7-11(16)17/h2-5H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 248.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 3426586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).