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

C12H12N2O5 — CID 6006953

IUPAC(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2\NC(=O)NC2=O)cc(OC)c1O
InChIInChI=1S/C12H12N2O5/c1-18-8-4-6(5-9(19-2)10(8)15)3-7-11(16)14-12(17)13-7/h3-5,15H,1-2H3,(H2,13,14,16,17)/b7-3-
InChIKeyRSIQYTGMRHLSLW-CLTKARDFSA-N
MW264.24 g/mol
LogP0.59
Rot. Bonds3

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

(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 6006953) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID6006953
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cc(/C=C2\NC(=O)NC2=O)cc(OC)c1O
InChIInChI=1S/C12H12N2O5/c1-18-8-4-6(5-9(19-2)10(8)15)3-7-11(16)14-12(17)13-7/h3-5,15H,1-2H3,(H2,13,14,16,17)/b7-3-
InChIKeyRSIQYTGMRHLSLW-CLTKARDFSA-N
XLogP0.59
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.59
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 6006953) is (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione is COc1cc(/C=C2\NC(=O)NC2=O)cc(OC)c1O.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is RSIQYTGMRHLSLW-CLTKARDFSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-18-8-4-6(5-9(19-2)10(8)15)3-7-11(16)14-12(17)13-7/h3-5,15H,1-2H3,(H2,13,14,16,17)/b7-3-.
What are the key properties of (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 264.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 6006953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).