(5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione

C20H21N3O4 — CID 135673713

IUPAC(5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCCCOc1ccc(/C=N/N2C(=O)N[C@](C)(c3ccccc3)C2=O)c(O)c1
InChIInChI=1S/C20H21N3O4/c1-3-11-27-16-10-9-14(17(24)12-16)13-21-23-18(25)20(2,22-19(23)26)15-7-5-4-6-8-15/h4-10,12-13,24H,3,11H2,1-2H3,(H,22,26)/b21-13+/t20-/m1/s1
InChIKeyPDLSBVYBDKIXGG-TTYLXTBDSA-N
MW367.41 g/mol
LogP2.98
Rot. Bonds6

About (5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione

(5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 135673713) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID135673713
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name(5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCCCOc1ccc(/C=N/N2C(=O)N[C@](C)(c3ccccc3)C2=O)c(O)c1
InChIInChI=1S/C20H21N3O4/c1-3-11-27-16-10-9-14(17(24)12-16)13-21-23-18(25)20(2,22-19(23)26)15-7-5-4-6-8-15/h4-10,12-13,24H,3,11H2,1-2H3,(H,22,26)/b21-13+/t20-/m1/s1
InChIKeyPDLSBVYBDKIXGG-TTYLXTBDSA-N
XLogP2.98
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

(5S)-5-ethyl-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 135562512
2-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 135852605
(5S)-3-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 135673695
(5S)-3-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562562
3-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18225564
(5S)-3-[(Z)-[4-(dipropylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9260859
2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135571924
2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol
CID 135682513
(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9260846
2-[(2,4-dipropoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 2378288
5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 42995827
(5S)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562560

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 135673713) is (5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione is CCCOc1ccc(/C=N/N2C(=O)N[C@](C)(c3ccccc3)C2=O)c(O)c1.
What is the InChIKey of (5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is PDLSBVYBDKIXGG-TTYLXTBDSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-11-27-16-10-9-14(17(24)12-16)13-21-23-18(25)20(2,22-19(23)26)15-7-5-4-6-8-15/h4-10,12-13,24H,3,11H2,1-2H3,(H,22,26)/b21-13+/t20-/m1/s1.
What are the key properties of (5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 367.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 135673713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).