3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

C21H22N2O3 — CID 4790937

IUPAC3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCCc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-4-15-7-9-16(10-8-15)18(24)13-23-19(25)21(3,22-20(23)26)17-11-5-14(2)6-12-17/h5-12H,4,13H2,1-3H3,(H,22,26)
InChIKeyKUPCWKONNCMYAU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.21
Rot. Bonds5

About 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 4790937) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID4790937
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCCc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-4-15-7-9-16(10-8-15)18(24)13-23-19(25)21(3,22-20(23)26)17-11-5-14(2)6-12-17/h5-12H,4,13H2,1-3H3,(H,22,26)
InChIKeyKUPCWKONNCMYAU-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 4790937) is 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is CCc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is KUPCWKONNCMYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-15-7-9-16(10-8-15)18(24)13-23-19(25)21(3,22-20(23)26)17-11-5-14(2)6-12-17/h5-12H,4,13H2,1-3H3,(H,22,26).
What are the key properties of 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 4790937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).