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

C25H20ClIN2O4 — CID 126172323

IUPAC(5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1
InChIInChI=1S/C25H20ClIN2O4/c1-15-3-5-16(6-4-15)14-33-23-20(27)11-17(13-22(23)32-2)12-21-24(30)29(25(31)28-21)19-9-7-18(26)8-10-19/h3-13H,14H2,1-2H3,(H,28,31)/b21-12+
InChIKeyCIPMWKOQSNACIV-CIAFOILYSA-N
MW574.80 g/mol
LogP5.94
Rot. Bonds6

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

(5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126172323) has the molecular formula C25H20ClIN2O4 and a molecular weight of 574.80 g/mol. Its IUPAC name is (5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126172323
Molecular FormulaC25H20ClIN2O4
Molecular Weight574.80 g/mol
Exact Mass574.02
IUPAC Name(5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1
InChIInChI=1S/C25H20ClIN2O4/c1-15-3-5-16(6-4-15)14-33-23-20(27)11-17(13-22(23)32-2)12-21-24(30)29(25(31)28-21)19-9-7-18(26)8-10-19/h3-13H,14H2,1-2H3,(H,28,31)/b21-12+
InChIKeyCIPMWKOQSNACIV-CIAFOILYSA-N
XLogP5.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.80
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-iodo-6-methoxyphenoxy]methyl]benzoic acid
CID 126178535
(5E)-5-[[3-chloro-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126241075
(5E)-3-(4-chlorophenyl)-5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126173764
(5E)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126178845
(5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126239095
(5E)-5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126179428
5-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 2925789
(5E)-3-(3-chlorophenyl)-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126072682
(5E)-3-(4-chlorophenyl)-5-[[3-ethoxy-5-iodo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126227805
(5E)-3-(4-chlorophenyl)-5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126178741
(5E)-3-(3-chlorophenyl)-5-[[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126113475
(5E)-3-(4-chlorophenyl)-5-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126237210

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione (CID 126172323) is (5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1.
What is the InChIKey of (5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is CIPMWKOQSNACIV-CIAFOILYSA-N. The full InChI is InChI=1S/C25H20ClIN2O4/c1-15-3-5-16(6-4-15)14-33-23-20(27)11-17(13-22(23)32-2)12-21-24(30)29(25(31)28-21)19-9-7-18(26)8-10-19/h3-13H,14H2,1-2H3,(H,28,31)/b21-12+.
What are the key properties of (5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 574.80 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126172323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).