5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione

C13H14N2O5 — CID 54295043

IUPAC5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione
SMILESCOc1cc(C=C2C(=O)NC(=O)N2C)cc(OC)c1O
InChIInChI=1S/C13H14N2O5/c1-15-8(12(17)14-13(15)18)4-7-5-9(19-2)11(16)10(6-7)20-3/h4-6,16H,1-3H3,(H,14,17,18)
InChIKeySAFASKCLPRSCJQ-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.93
Rot. Bonds3

About 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione

5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione (PubChem CID 54295043) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione
PubChem CID54295043
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione
SMILESCOc1cc(C=C2C(=O)NC(=O)N2C)cc(OC)c1O
InChIInChI=1S/C13H14N2O5/c1-15-8(12(17)14-13(15)18)4-7-5-9(19-2)11(16)10(6-7)20-3/h4-6,16H,1-3H3,(H,14,17,18)
InChIKeySAFASKCLPRSCJQ-UHFFFAOYSA-N
XLogP0.93
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
CID 140632500
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 126037191
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 158844505
1-(4-chlorophenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6737882
1-benzyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6804288
(5Z)-1-(3,5-dimethylphenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6044631
1-(3-chloro-4-methoxyphenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6795853
(5Z)-5-[(4-fluorophenyl)methylidene]-1-methylimidazolidine-2,4-dione
CID 19589561
5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-imino-1-methylimidazolidin-4-one
CID 157483487
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one
CID 138720142
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1251620
1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione
CID 2751742

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione (CID 54295043) is 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione is COc1cc(C=C2C(=O)NC(=O)N2C)cc(OC)c1O.
What is the InChIKey of 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione?
The InChIKey is SAFASKCLPRSCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-15-8(12(17)14-13(15)18)4-7-5-9(19-2)11(16)10(6-7)20-3/h4-6,16H,1-3H3,(H,14,17,18).
What are the key properties of 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione?
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione has a molecular weight of 278.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 54295043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).