(5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

C26H22Cl2N2O3 — CID 126236387

IUPAC(5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(COc2c(Cl)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)cc2Cl)cc1
InChIInChI=1S/C26H22Cl2N2O3/c1-16-3-7-18(8-4-16)14-30-25(31)23(29-26(30)32)13-20-11-21(27)24(22(28)12-20)33-15-19-9-5-17(2)6-10-19/h3-13H,14-15H2,1-2H3,(H,29,32)/b23-13+
InChIKeyXKSXKTHQSRTQFD-YDZHTSKRSA-N
MW481.38 g/mol
LogP6.28
Rot. Bonds6

About (5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

(5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126236387) has the molecular formula C26H22Cl2N2O3 and a molecular weight of 481.38 g/mol. Its IUPAC name is (5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID126236387
Molecular FormulaC26H22Cl2N2O3
Molecular Weight481.38 g/mol
Exact Mass480.10
IUPAC Name(5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(COc2c(Cl)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)cc2Cl)cc1
InChIInChI=1S/C26H22Cl2N2O3/c1-16-3-7-18(8-4-16)14-30-25(31)23(29-26(30)32)13-20-11-21(27)24(22(28)12-20)33-15-19-9-5-17(2)6-10-19/h3-13H,14-15H2,1-2H3,(H,29,32)/b23-13+
InChIKeyXKSXKTHQSRTQFD-YDZHTSKRSA-N
XLogP6.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[[2,6-dichloro-4-[(E)-[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 126227150
(5E)-5-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126245188
2-[[2,6-dichloro-4-[(E)-[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzonitrile
CID 126259722
2-[(4E)-4-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126029418
(5E)-5-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126248848
(5E)-5-[[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126234615
(5E)-5-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126026969
(5E)-5-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126139911
(5E)-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 6385420
3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2910779
(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126252150
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126243184

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (CID 126236387) is (5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1ccc(COc2c(Cl)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)cc2Cl)cc1.
What is the InChIKey of (5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is XKSXKTHQSRTQFD-YDZHTSKRSA-N. The full InChI is InChI=1S/C26H22Cl2N2O3/c1-16-3-7-18(8-4-16)14-30-25(31)23(29-26(30)32)13-20-11-21(27)24(22(28)12-20)33-15-19-9-5-17(2)6-10-19/h3-13H,14-15H2,1-2H3,(H,29,32)/b23-13+.
What are the key properties of (5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 481.38 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126236387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).