About (5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
(5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 135574391) has the molecular formula C23H28N4O3
and a molecular weight of 408.50 g/mol. Its IUPAC name is (5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
Molecular Properties
| Compound Name | (5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione |
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| PubChem CID | 135574391 |
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| Molecular Formula | C23H28N4O3 |
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| Molecular Weight | 408.50 g/mol |
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| Exact Mass | 408.22 |
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| IUPAC Name | (5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione |
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| SMILES | CCN(CC)c1ccc(/C=N/N2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(O)c1 |
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| InChI | InChI=1S/C23H28N4O3/c1-4-26(5-2)19-12-11-18(20(28)15-19)16-24-27-21(29)23(3,25-22(27)30)14-13-17-9-7-6-8-10-17/h6-12,15-16,28H,4-5,13-14H2,1-3H3,(H,25,30)/b24-16+/t23-/m1/s1 |
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| InChIKey | MNFULAYGECSJJE-DIVQNALZSA-N |
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| XLogP | 3.52 |
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| TPSA | 85.24 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 30 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 408.50 |
| LogP ≤ 5 | 3.52 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 135574391) is (5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is CCN(CC)c1ccc(/C=N/N2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(O)c1.
What is the InChIKey of (5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is MNFULAYGECSJJE-DIVQNALZSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-26(5-2)19-12-11-18(20(28)15-19)16-24-27-21(29)23(3,25-22(27)30)14-13-17-9-7-6-8-10-17/h6-12,15-16,28H,4-5,13-14H2,1-3H3,(H,25,30)/b24-16+/t23-/m1/s1.
What are the key properties of (5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 408.50 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 135574391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).