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

C22H24N2O3 — CID 4528054

IUPAC3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCCc1ccc(C(=O)CN2C(=O)NC(C)(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-3-16-9-11-18(12-10-16)19(25)15-24-20(26)22(2,23-21(24)27)14-13-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,23,27)
InChIKeyYIHKSUVKGFKYJX-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.38
Rot. Bonds7

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

3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 4528054) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID4528054
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCCc1ccc(C(=O)CN2C(=O)NC(C)(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-3-16-9-11-18(12-10-16)19(25)15-24-20(26)22(2,23-21(24)27)14-13-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,23,27)
InChIKeyYIHKSUVKGFKYJX-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.38
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-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 4528054) is 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is CCc1ccc(C(=O)CN2C(=O)NC(C)(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is YIHKSUVKGFKYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-16-9-11-18(12-10-16)19(25)15-24-20(26)22(2,23-21(24)27)14-13-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,23,27).
What are the key properties of 3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of 3.38, 7 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-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 4528054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).