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

C12H12N2O4 — CID 2189796

IUPAC(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\NC(=O)NC2=O)cc1OC
InChIInChI=1S/C12H12N2O4/c1-17-9-4-3-7(6-10(9)18-2)5-8-11(15)14-12(16)13-8/h3-6H,1-2H3,(H2,13,14,15,16)/b8-5-
InChIKeyNKQBXYVAZTZVMV-YVMONPNESA-N
MW248.24 g/mol
LogP0.88
Rot. Bonds3

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

(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 2189796) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID2189796
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\NC(=O)NC2=O)cc1OC
InChIInChI=1S/C12H12N2O4/c1-17-9-4-3-7(6-10(9)18-2)5-8-11(15)14-12(16)13-8/h3-6H,1-2H3,(H2,13,14,15,16)/b8-5-
InChIKeyNKQBXYVAZTZVMV-YVMONPNESA-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

[4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenyl] acetate
CID 54271325
(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
2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 697105
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 717415
(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
5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2848836
5-[[4-methoxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
CID 69462356
(5E)-5-[[4-methoxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]methylidene]imidazolidine-2,4-dione
CID 69458848
2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide
CID 697071
5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 3977168

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 2189796) is (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione is COc1ccc(/C=C2\NC(=O)NC2=O)cc1OC.
What is the InChIKey of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is NKQBXYVAZTZVMV-YVMONPNESA-N. The full InChI is InChI=1S/C12H12N2O4/c1-17-9-4-3-7(6-10(9)18-2)5-8-11(15)14-12(16)13-8/h3-6H,1-2H3,(H2,13,14,15,16)/b8-5-.
What are the key properties of (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(3,4-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 (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2189796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).