(5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione

C23H16Cl2N2O3 — CID 2301172

IUPAC(5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C23H16Cl2N2O3/c24-18-11-10-15(12-19(18)25)14-30-21-9-5-4-6-16(21)13-20-22(28)27(23(29)26-20)17-7-2-1-3-8-17/h1-13H,14H2,(H,26,29)/b20-13+
InChIKeyGLYPLOLDXHSYTI-DEDYPNTBSA-N
MW439.30 g/mol
LogP5.67
Rot. Bonds5

About (5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione

(5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 2301172) has the molecular formula C23H16Cl2N2O3 and a molecular weight of 439.30 g/mol. Its IUPAC name is (5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID2301172
Molecular FormulaC23H16Cl2N2O3
Molecular Weight439.30 g/mol
Exact Mass438.05
IUPAC Name(5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C23H16Cl2N2O3/c24-18-11-10-15(12-19(18)25)14-30-21-9-5-4-6-16(21)13-20-22(28)27(23(29)26-20)17-7-2-1-3-8-17/h1-13H,14H2,(H,26,29)/b20-13+
InChIKeyGLYPLOLDXHSYTI-DEDYPNTBSA-N
XLogP5.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 55.67
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

(5E)-5-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126075797
(5E)-5-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126027324
4-[[2-[(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoate
CID 6959041
methyl 2-[4-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 4017494
(5E)-5-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126099184
(5E)-3-(3-chlorophenyl)-5-[[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126108790
3-(3-chlorophenyl)-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4038187
(5E)-3-(3-chlorophenyl)-5-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126072508
3-[[2-chloro-4-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 988624
(5E)-5-[[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126110024
3-methyl-5-[(2-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4013801
(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126235008

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione (CID 2301172) is (5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione is O=C1N/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1.
What is the InChIKey of (5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is GLYPLOLDXHSYTI-DEDYPNTBSA-N. The full InChI is InChI=1S/C23H16Cl2N2O3/c24-18-11-10-15(12-19(18)25)14-30-21-9-5-4-6-16(21)13-20-22(28)27(23(29)26-20)17-7-2-1-3-8-17/h1-13H,14H2,(H,26,29)/b20-13+.
What are the key properties of (5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione?
(5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 439.30 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2301172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).