5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione

C12H12N2O4 — CID 2848836

IUPAC5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(OC)c(C=C2NC(=O)NC2=O)c1
InChIInChI=1S/C12H12N2O4/c1-17-8-3-4-10(18-2)7(5-8)6-9-11(15)14-12(16)13-9/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyLZMUNRZLNDFJBL-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.88
Rot. Bonds3

About 5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione

5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 2848836) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID2848836
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(OC)c(C=C2NC(=O)NC2=O)c1
InChIInChI=1S/C12H12N2O4/c1-17-8-3-4-10(18-2)7(5-8)6-9-11(15)14-12(16)13-9/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyLZMUNRZLNDFJBL-UHFFFAOYSA-N
XLogP0.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
CID 696750
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]isoindol-1-one
CID 14616526
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2189796
5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2912531
(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 124646332
(5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2271864
5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3969795
5-[(2,5-dimethoxyphenyl)methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 804285
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 5408391
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-4,5-difluoro-1H-indol-2-one
CID 11220824
(5E)-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
CID 751973
(5E)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 760516

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 2848836) is 5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione is COc1ccc(OC)c(C=C2NC(=O)NC2=O)c1.
What is the InChIKey of 5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is LZMUNRZLNDFJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-17-8-3-4-10(18-2)7(5-8)6-9-11(15)14-12(16)13-9/h3-6H,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 248.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2848836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).