(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

C21H22N2O4 — CID 2128781

IUPAC(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C21H22N2O4/c1-13-5-8-17(9-6-13)21(3)19(25)23(20(26)22-21)12-16-11-15(14(2)24)7-10-18(16)27-4/h5-11H,12H2,1-4H3,(H,22,26)/t21-/m1/s1
InChIKeyOJCFTYLIIGGWLU-OAQYLSRUSA-N
MW366.42 g/mol
LogP3.17
Rot. Bonds5

About (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 2128781) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID2128781
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C21H22N2O4/c1-13-5-8-17(9-6-13)21(3)19(25)23(20(26)22-21)12-16-11-15(14(2)24)7-10-18(16)27-4/h5-11H,12H2,1-4H3,(H,22,26)/t21-/m1/s1
InChIKeyOJCFTYLIIGGWLU-OAQYLSRUSA-N
XLogP3.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51951367
(5R)-3-[(5-acetyl-2-ethoxyphenyl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2633572
3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4034522
(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7801344
(5R)-3-[(2-methoxy-5-methylphenyl)methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7627670
(5S)-3-[(2-methoxy-5-methylphenyl)methyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 8943293
3-[(5-acetyl-2-methoxyphenyl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
CID 51106612
(5R)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7546173
(3S)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 2466972
5-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 18079330
(5S)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8506852
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 2128781) is (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is COc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O.
What is the InChIKey of (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is OJCFTYLIIGGWLU-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-5-8-17(9-6-13)21(3)19(25)23(20(26)22-21)12-16-11-15(14(2)24)7-10-18(16)27-4/h5-11H,12H2,1-4H3,(H,22,26)/t21-/m1/s1.
What are the key properties of (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
(5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 366.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(5-acetyl-2-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2128781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).