(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione

C12H12N2O6S — CID 141167156

IUPAC(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione
SMILESCOc1cc(/C=C2\NC(=O)N(S(C)(=O)=O)C2=O)ccc1O
InChIInChI=1S/C12H12N2O6S/c1-20-10-6-7(3-4-9(10)15)5-8-11(16)14(12(17)13-8)21(2,18)19/h3-6,15H,1-2H3,(H,13,17)/b8-5-
InChIKeyNPWROHNECKWGCN-YVMONPNESA-N
MW312.30 g/mol
LogP0.25
Rot. Bonds3

About (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione

(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione (PubChem CID 141167156) has the molecular formula C12H12N2O6S and a molecular weight of 312.30 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione
PubChem CID141167156
Molecular FormulaC12H12N2O6S
Molecular Weight312.30 g/mol
Exact Mass312.04
IUPAC Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione
SMILESCOc1cc(/C=C2\NC(=O)N(S(C)(=O)=O)C2=O)ccc1O
InChIInChI=1S/C12H12N2O6S/c1-20-10-6-7(3-4-9(10)15)5-8-11(16)14(12(17)13-8)21(2,18)19/h3-6,15H,1-2H3,(H,13,17)/b8-5-
InChIKeyNPWROHNECKWGCN-YVMONPNESA-N
XLogP0.25
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 3391519
(5E)-3-benzyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 91659291
3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperidin-4-one
CID 72983742
2-[(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126244729
(5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 9341564
(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126226720
(5E)-2-ethylimino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidin-4-one
CID 136694831
(6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 969490
2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 11366
(2Z,7Z)-2,7-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cycloheptan-1-one
CID 177487942
(5E)-3-[(4-fluorophenyl)methyl]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 750602
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 5426863

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione (CID 141167156) is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione is COc1cc(/C=C2\NC(=O)N(S(C)(=O)=O)C2=O)ccc1O.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione?
The InChIKey is NPWROHNECKWGCN-YVMONPNESA-N. The full InChI is InChI=1S/C12H12N2O6S/c1-20-10-6-7(3-4-9(10)15)5-8-11(16)14(12(17)13-8)21(2,18)19/h3-6,15H,1-2H3,(H,13,17)/b8-5-.
What are the key properties of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione?
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione has a molecular weight of 312.30 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione is sourced from PubChem (CID 141167156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).