(5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C23H28N4O4 — CID 9260972

IUPAC(5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCCN(CCO)c1ccc(/C=N\N2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c(C)c1
InChIInChI=1S/C23H28N4O4/c1-5-26(12-13-28)19-9-6-17(16(2)14-19)15-24-27-21(29)23(3,25-22(27)30)18-7-10-20(31-4)11-8-18/h6-11,14-15,28H,5,12-13H2,1-4H3,(H,25,30)/b24-15-/t23-/m0/s1
InChIKeyPADRLIHGYHKKCW-IBNIFWCESA-N
MW424.50 g/mol
LogP2.62
Rot. Bonds8

About (5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 9260972) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is (5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID9260972
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name(5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCCN(CCO)c1ccc(/C=N\N2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c(C)c1
InChIInChI=1S/C23H28N4O4/c1-5-26(12-13-28)19-9-6-17(16(2)14-19)15-24-27-21(29)23(3,25-22(27)30)18-7-10-20(31-4)11-8-18/h6-11,14-15,28H,5,12-13H2,1-4H3,(H,25,30)/b24-15-/t23-/m0/s1
InChIKeyPADRLIHGYHKKCW-IBNIFWCESA-N
XLogP2.62
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 7939348
2-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9257449
(5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9260939
5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42995825
(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-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562560
(5R)-3-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135673790
(5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
CID 8003972
(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9260846
N-[4-[(E)-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]iminomethyl]phenyl]acetamide
CID 42995815
3-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 135558475

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 9260972) is (5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is CCN(CCO)c1ccc(/C=N\N2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c(C)c1.
What is the InChIKey of (5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is PADRLIHGYHKKCW-IBNIFWCESA-N. The full InChI is InChI=1S/C23H28N4O4/c1-5-26(12-13-28)19-9-6-17(16(2)14-19)15-24-27-21(29)23(3,25-22(27)30)18-7-10-20(31-4)11-8-18/h6-11,14-15,28H,5,12-13H2,1-4H3,(H,25,30)/b24-15-/t23-/m0/s1.
What are the key properties of (5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 424.50 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 9260972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).