About (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 9360457) has the molecular formula C20H22N2O2
and a molecular weight of 322.41 g/mol. Its IUPAC name is (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
Molecular Properties
| Compound Name | (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione |
| PubChem CID | 9360457 |
| Molecular Formula | C20H22N2O2 |
| Molecular Weight | 322.41 g/mol |
| Exact Mass | 322.17 |
| IUPAC Name | (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione |
| SMILES | Cc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)C(=O)[C@H]2C)cc1 |
| InChI | InChI=1S/C20H22N2O2/c1-13-6-9-18(10-7-13)22-16(4)19(23)21(20(22)24)12-17-11-14(2)5-8-15(17)3/h5-11,16H,12H2,1-4H3/t16-/m1/s1 |
| InChIKey | JYTWSSDJDCCUAQ-MRXNPFEDSA-N |
| XLogP | 3.97 |
| TPSA | 40.62 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 322.41 |
| LogP ≤ 5 | 3.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 9360457) is (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)C(=O)[C@H]2C)cc1.
What is the InChIKey of (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is JYTWSSDJDCCUAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-6-9-18(10-7-13)22-16(4)19(23)21(20(22)24)12-17-11-14(2)5-8-15(17)3/h5-11,16H,12H2,1-4H3/t16-/m1/s1.
What are the key properties of (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 9360457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).