(5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione

C20H18FIN2O4 — CID 126173351

IUPAC(5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)C1=O
InChIInChI=1S/C20H18FIN2O4/c1-3-24-19(25)16(23-20(24)26)9-13-8-15(22)18(17(10-13)27-2)28-11-12-5-4-6-14(21)7-12/h4-10H,3,11H2,1-2H3,(H,23,26)/b16-9+
InChIKeyIRXSDANAPRLKSK-CXUHLZMHSA-N
MW496.28 g/mol
LogP3.93
Rot. Bonds6

About (5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione

(5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 126173351) has the molecular formula C20H18FIN2O4 and a molecular weight of 496.28 g/mol. Its IUPAC name is (5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
PubChem CID126173351
Molecular FormulaC20H18FIN2O4
Molecular Weight496.28 g/mol
Exact Mass496.03
IUPAC Name(5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)C1=O
InChIInChI=1S/C20H18FIN2O4/c1-3-24-19(25)16(23-20(24)26)9-13-8-15(22)18(17(10-13)27-2)28-11-12-5-4-6-14(21)7-12/h4-10H,3,11H2,1-2H3,(H,23,26)/b16-9+
InChIKeyIRXSDANAPRLKSK-CXUHLZMHSA-N
XLogP3.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.28
LogP ≤ 53.93
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)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126256171
(5E)-3-(3-chlorophenyl)-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126072682
(5E)-5-[[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-propylimidazolidine-2,4-dione
CID 126239095
(5E)-5-[[3,5-diiodo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126235263
(5E)-5-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126245208
(5E)-5-[[3-ethoxy-5-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126180947
(5E)-5-[[3-chloro-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126079810
2-[(4E)-4-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126106675
methyl 2-[4-[(E)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 126237843
(5E)-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126146060
5-[(3,4-diethoxy-5-iodophenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 73380585
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126237152

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione (CID 126173351) is (5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione is CCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(OC)c2)C1=O.
What is the InChIKey of (5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is IRXSDANAPRLKSK-CXUHLZMHSA-N. The full InChI is InChI=1S/C20H18FIN2O4/c1-3-24-19(25)16(23-20(24)26)9-13-8-15(22)18(17(10-13)27-2)28-11-12-5-4-6-14(21)7-12/h4-10H,3,11H2,1-2H3,(H,23,26)/b16-9+.
What are the key properties of (5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
(5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 496.28 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-[[4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126173351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).