(5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione

C21H20I2N2O3 — CID 126248041

IUPAC(5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)C1=O
InChIInChI=1S/C21H20I2N2O3/c1-3-8-25-20(26)18(24-21(25)27)11-15-9-16(22)19(17(23)10-15)28-12-14-6-4-13(2)5-7-14/h4-7,9-11H,3,8,12H2,1-2H3,(H,24,27)/b18-11+
InChIKeySLBRKUYKBMTKMW-WOJGMQOQSA-N
MW602.21 g/mol
LogP5.09
Rot. Bonds6

About (5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione

(5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione (PubChem CID 126248041) has the molecular formula C21H20I2N2O3 and a molecular weight of 602.21 g/mol. Its IUPAC name is (5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
PubChem CID126248041
Molecular FormulaC21H20I2N2O3
Molecular Weight602.21 g/mol
Exact Mass601.96
IUPAC Name(5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)C1=O
InChIInChI=1S/C21H20I2N2O3/c1-3-8-25-20(26)18(24-21(25)27)11-15-9-16(22)19(17(23)10-15)28-12-14-6-4-13(2)5-7-14/h4-7,9-11H,3,8,12H2,1-2H3,(H,24,27)/b18-11+
InChIKeySLBRKUYKBMTKMW-WOJGMQOQSA-N
XLogP5.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.21
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126239095
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126237152
(5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126103849
(5E)-3-ethyl-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126179288
(5E)-3-benzyl-5-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126243022
(5E)-5-[(3,5-diiodo-4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126252175
(5E)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126250563
2-[(4E)-4-[[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 126023485
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126243184
(5E)-5-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126236387
(5E)-3-benzyl-5-[[3,5-diiodo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126244261
(5E)-5-[[4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126234865

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione (CID 126248041) is (5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(I)c2)C1=O.
What is the InChIKey of (5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The InChIKey is SLBRKUYKBMTKMW-WOJGMQOQSA-N. The full InChI is InChI=1S/C21H20I2N2O3/c1-3-8-25-20(26)18(24-21(25)27)11-15-9-16(22)19(17(23)10-15)28-12-14-6-4-13(2)5-7-14/h4-7,9-11H,3,8,12H2,1-2H3,(H,24,27)/b18-11+.
What are the key properties of (5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
(5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione has a molecular weight of 602.21 g/mol, XLogP of 5.09, 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-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 126248041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).