(5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione

C11H9IN2O3 — CID 2271864

IUPAC(5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\NC(=O)NC2=O)cc1I
InChIInChI=1S/C11H9IN2O3/c1-17-9-3-2-6(4-7(9)12)5-8-10(15)14-11(16)13-8/h2-5H,1H3,(H2,13,14,15,16)/b8-5-
InChIKeyICJQOOKZASVKSP-YVMONPNESA-N
MW344.11 g/mol
LogP1.48
Rot. Bonds2

About (5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 2271864) has the molecular formula C11H9IN2O3 and a molecular weight of 344.11 g/mol. Its IUPAC name is (5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID2271864
Molecular FormulaC11H9IN2O3
Molecular Weight344.11 g/mol
Exact Mass343.97
IUPAC Name(5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\NC(=O)NC2=O)cc1I
InChIInChI=1S/C11H9IN2O3/c1-17-9-3-2-6(4-7(9)12)5-8-10(15)14-11(16)13-8/h2-5H,1H3,(H2,13,14,15,16)/b8-5-
InChIKeyICJQOOKZASVKSP-YVMONPNESA-N
XLogP1.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.11
LogP ≤ 51.48
H-Bond Donors ≤ 52
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

(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2189796
5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3969795
[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenyl] acetate
CID 54271325
5-[[4-[(4-bromophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 5099925
(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 760516
(5E)-5-[(3-methoxy-4-phenylphenyl)methylidene]imidazolidine-2,4-dione
CID 24752455
[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-iodo-6-methoxyphenyl] acetate
CID 2169359
(5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-iodophenyl]methylidene]imidazolidine-2,4-dione
CID 126053628
2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 697105
(5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126057174
5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2848836
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 717415

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 2271864) is (5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione is COc1ccc(/C=C2\NC(=O)NC2=O)cc1I.
What is the InChIKey of (5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is ICJQOOKZASVKSP-YVMONPNESA-N. The full InChI is InChI=1S/C11H9IN2O3/c1-17-9-3-2-6(4-7(9)12)5-8-10(15)14-11(16)13-8/h2-5H,1H3,(H2,13,14,15,16)/b8-5-.
What are the key properties of (5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 344.11 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2271864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).