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

C22H23IN2O4 — CID 126239095

IUPAC(5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)C1=O
InChIInChI=1S/C22H23IN2O4/c1-4-9-25-21(26)18(24-22(25)27)11-16-10-17(23)20(19(12-16)28-3)29-13-15-7-5-14(2)6-8-15/h5-8,10-12H,4,9,13H2,1-3H3,(H,24,27)/b18-11+
InChIKeyCFJJEDYCCXJINA-WOJGMQOQSA-N
MW506.34 g/mol
LogP4.49
Rot. Bonds7

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

(5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione (PubChem CID 126239095) has the molecular formula C22H23IN2O4 and a molecular weight of 506.34 g/mol. Its IUPAC name is (5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
PubChem CID126239095
Molecular FormulaC22H23IN2O4
Molecular Weight506.34 g/mol
Exact Mass506.07
IUPAC Name(5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)C1=O
InChIInChI=1S/C22H23IN2O4/c1-4-9-25-21(26)18(24-22(25)27)11-16-10-17(23)20(19(12-16)28-3)29-13-15-7-5-14(2)6-8-15/h5-8,10-12H,4,9,13H2,1-3H3,(H,24,27)/b18-11+
InChIKeyCFJJEDYCCXJINA-WOJGMQOQSA-N
XLogP4.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.34
LogP ≤ 54.49
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

(5E)-5-[[3,5-diiodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126248041
(5E)-5-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126250563
(5E)-3-(4-chlorophenyl)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126172323
(5E)-3-benzyl-5-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126243022
2-[4-[(E)-(2,5-dioxo-1-propylimidazolidin-4-ylidene)methyl]-2-iodo-6-methoxyphenoxy]acetic acid
CID 126248591
(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126140970
(5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126173351
(5E)-5-[(3,5-diiodo-4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126252175
(5E)-3-ethyl-5-[[3-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126179288
(5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-iodo-5-methoxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126244518
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126237152
(5E)-5-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126145696

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione (CID 126239095) is (5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)C1=O.
What is the InChIKey of (5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
The InChIKey is CFJJEDYCCXJINA-WOJGMQOQSA-N. The full InChI is InChI=1S/C22H23IN2O4/c1-4-9-25-21(26)18(24-22(25)27)11-16-10-17(23)20(19(12-16)28-3)29-13-15-7-5-14(2)6-8-15/h5-8,10-12H,4,9,13H2,1-3H3,(H,24,27)/b18-11+.
What are the key properties of (5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione?
(5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione has a molecular weight of 506.34 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 126239095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).