5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione

C24H21N3O4 — CID 42995827

IUPAC5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(/N=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1
InChIInChI=1S/C24H21N3O4/c1-24(18-11-13-19(30-2)14-12-18)22(28)27(23(29)26-24)25-16-17-7-6-10-21(15-17)31-20-8-4-3-5-9-20/h3-16H,1-2H3,(H,26,29)/b25-16+
InChIKeyDJEQGZACDXXIIJ-PCLIKHOPSA-N
MW415.45 g/mol
LogP4.29
Rot. Bonds6

About 5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione

5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 42995827) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione
PubChem CID42995827
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCOc1ccc(C2(C)NC(=O)N(/N=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1
InChIInChI=1S/C24H21N3O4/c1-24(18-11-13-19(30-2)14-12-18)22(28)27(23(29)26-24)25-16-17-7-6-10-21(15-17)31-20-8-4-3-5-9-20/h3-16H,1-2H3,(H,26,29)/b25-16+
InChIKeyDJEQGZACDXXIIJ-PCLIKHOPSA-N
XLogP4.29
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18225564
5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42995825
5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42912687
(5R)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]imidazolidine-2,4-dione
CID 8980786
(5S)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562560
(5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9260939
(5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
CID 8003972
(5S)-3-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562562
N-[4-[(E)-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]iminomethyl]phenyl]acetamide
CID 42995815
(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 7939348
(5S)-3-[(Z)-(3-methoxyphenyl)methylideneamino]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349778
3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
CID 9349596

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione (CID 42995827) is 5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione is COc1ccc(C2(C)NC(=O)N(/N=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is DJEQGZACDXXIIJ-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-24(18-11-13-19(30-2)14-12-18)22(28)27(23(29)26-24)25-16-17-7-6-10-21(15-17)31-20-8-4-3-5-9-20/h3-16H,1-2H3,(H,26,29)/b25-16+.
What are the key properties of 5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione?
5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 415.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 42995827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).