(5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione

C19H17IN2O4 — CID 126194931

IUPAC(5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C19H17IN2O4/c1-22-18(23)15(21-19(22)24)9-13-5-8-16(17(10-13)25-2)26-11-12-3-6-14(20)7-4-12/h3-10H,11H2,1-2H3,(H,21,24)/b15-9+
InChIKeyJYAIIYKRBRHBJX-OQLLNIDSSA-N
MW464.26 g/mol
LogP3.40
Rot. Bonds5

About (5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione

(5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione (PubChem CID 126194931) has the molecular formula C19H17IN2O4 and a molecular weight of 464.26 g/mol. Its IUPAC name is (5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione
PubChem CID126194931
Molecular FormulaC19H17IN2O4
Molecular Weight464.26 g/mol
Exact Mass464.02
IUPAC Name(5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione
SMILESCOc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C19H17IN2O4/c1-22-18(23)15(21-19(22)24)9-13-5-8-16(17(10-13)25-2)26-11-12-3-6-14(20)7-4-12/h3-10H,11H2,1-2H3,(H,21,24)/b15-9+
InChIKeyJYAIIYKRBRHBJX-OQLLNIDSSA-N
XLogP3.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.26
LogP ≤ 53.40
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-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126201008
5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2891414
(5E)-5-[[3-ethoxy-5-iodo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126197893
2-[(4E)-4-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126229198
5-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 1343785
N-(2-fluorophenyl)-2-[(4E)-4-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126220795
3-benzyl-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 4076719
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126246397
(5E)-5-[[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 19287930
4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-(4-iodophenyl)pyrazolidine-3,5-dione
CID 5029168
2-imino-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 171128443
4-[[2-methoxy-4-[(E)-[1-(2-methoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]methyl]benzoic acid
CID 6084401

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione (CID 126194931) is (5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione is COc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1OCc1ccc(I)cc1.
What is the InChIKey of (5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione?
The InChIKey is JYAIIYKRBRHBJX-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H17IN2O4/c1-22-18(23)15(21-19(22)24)9-13-5-8-16(17(10-13)25-2)26-11-12-3-6-14(20)7-4-12/h3-10H,11H2,1-2H3,(H,21,24)/b15-9+.
What are the key properties of (5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione?
(5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione has a molecular weight of 464.26 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 126194931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).