(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione

C16H9BrCl2N2O3 — CID 126250470

IUPAC(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H9BrCl2N2O3/c17-11-5-8(6-12(19)14(11)22)7-13-15(23)21(16(24)20-13)10-3-1-9(18)2-4-10/h1-7,22H,(H,20,24)/b13-7+
InChIKeyAROMWSFNIGAAJY-NTUHNPAUSA-N
MW428.07 g/mol
LogP4.56
Rot. Bonds2

About (5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione

(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 126250470) has the molecular formula C16H9BrCl2N2O3 and a molecular weight of 428.07 g/mol. Its IUPAC name is (5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
PubChem CID126250470
Molecular FormulaC16H9BrCl2N2O3
Molecular Weight428.07 g/mol
Exact Mass425.92
IUPAC Name(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H9BrCl2N2O3/c17-11-5-8(6-12(19)14(11)22)7-13-15(23)21(16(24)20-13)10-3-1-9(18)2-4-10/h1-7,22H,(H,20,24)/b13-7+
InChIKeyAROMWSFNIGAAJY-NTUHNPAUSA-N
XLogP4.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.07
LogP ≤ 54.56
H-Bond Donors ≤ 52
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

2-[2,6-dibromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126259679
(5E)-3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126237589
1-(4-chlorophenyl)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6708495
ethyl 2-[2,6-dibromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetate
CID 126180679
(5E)-5-[(3-bromo-4-propan-2-yloxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126174137
(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126235008
4-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoic acid
CID 900674
(5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2287272
(5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126178845
(5E)-5-[[3-bromo-4-[(2R)-butan-2-yl]oxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126227610
(5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126237210
2-[2-bromo-4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 126173692

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione (CID 126250470) is (5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione is O=C1N/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is AROMWSFNIGAAJY-NTUHNPAUSA-N. The full InChI is InChI=1S/C16H9BrCl2N2O3/c17-11-5-8(6-12(19)14(11)22)7-13-15(23)21(16(24)20-13)10-3-1-9(18)2-4-10/h1-7,22H,(H,20,24)/b13-7+.
What are the key properties of (5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione?
(5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 428.07 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126250470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).