3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione

C11H16N4O3 — CID 154737485

IUPAC3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)NC(C)(c2cnn(C)c2)C1=O
InChIInChI=1S/C11H16N4O3/c1-11(8-6-12-14(2)7-8)9(16)15(4-5-18-3)10(17)13-11/h6-7H,4-5H2,1-3H3,(H,13,17)
InChIKeyYYBARYPILRHGDQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.17
Rot. Bonds4

About 3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione

3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 154737485) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID154737485
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)NC(C)(c2cnn(C)c2)C1=O
InChIInChI=1S/C11H16N4O3/c1-11(8-6-12-14(2)7-8)9(16)15(4-5-18-3)10(17)13-11/h6-7H,4-5H2,1-3H3,(H,13,17)
InChIKeyYYBARYPILRHGDQ-UHFFFAOYSA-N
XLogP-0.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 71756617
5-ethyl-5-(1-methyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 71757084
5-Methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione
CID 71871843
(5S)-3-[2-(1-ethylpyrazol-4-yl)ethyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 164637325
5-(1-Methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 116013184
2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 121718648
2-(methylamino)-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]acetamide
CID 121731377
5-Methyl-5-(1-methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)imidazolidine-2,4-dione
CID 154738394
1-[2-(1-Methylpyrazol-4-yl)ethyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 155947317
1-[2-[4-(Methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethyl]pyrazole-4-carbonitrile
CID 72108950
methyl-N-[[4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]boronamidic acid
CID 57561694
5-(Aminomethyl)-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 57594883

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (CID 154737485) is 3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is COCCN1C(=O)NC(C)(c2cnn(C)c2)C1=O.
What is the InChIKey of 3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is YYBARYPILRHGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(8-6-12-14(2)7-8)9(16)15(4-5-18-3)10(17)13-11/h6-7H,4-5H2,1-3H3,(H,13,17).
What are the key properties of 3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 154737485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).