5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione

C15H12N2O5 — CID 3042732

IUPAC5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc(O)cc2)(c2ccc(O)c(O)c2)N1
InChIInChI=1S/C15H12N2O5/c18-10-4-1-8(2-5-10)15(13(21)16-14(22)17-15)9-3-6-11(19)12(20)7-9/h1-7,18-20H,(H2,16,17,21,22)
InChIKeyQMYMFXHOUGRMLY-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.89
Rot. Bonds2

About 5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione

5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione (PubChem CID 3042732) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
PubChem CID3042732
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc(O)cc2)(c2ccc(O)c(O)c2)N1
InChIInChI=1S/C15H12N2O5/c18-10-4-1-8(2-5-10)15(13(21)16-14(22)17-15)9-3-6-11(19)12(20)7-9/h1-7,18-20H,(H2,16,17,21,22)
InChIKeyQMYMFXHOUGRMLY-UHFFFAOYSA-N
XLogP0.89
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-(4-Hydroxyphenyl)-5-phenylhydantoin
CID 17732
5-(3'-Hydroxyphenyl)-5-phenylhydantoin
CID 91597
4-Hydroxynirvanol
CID 173835
5-(3,4-Dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 3559619
4-Hydroxymephenytoin
CID 119507
5,5-Bis(4-hydroxyphenyl)hydantoin
CID 148875
4-Hydroxymephenytoin, (S)-
CID 40572060
5-(3,4-Dihydroxyphenyl)-5-phenylhydantoin
CID 169703
5-(2-Hydroxyphenyl)-5-phenylhydantoin
CID 162926
2,4-Imidazolidinedione, 5,5-bis(3,4-dimethoxyphenyl)-
CID 204297
2,4-Imidazolidinedione, 5,5-bis(3-hydroxyphenyl)-
CID 3058199
4-(4-Hydroxyphenyl)-4-(4-methoxyphenyl)-4H-imidazole-2,5-diol
CID 3058202

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione (CID 3042732) is 5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(c2ccc(O)cc2)(c2ccc(O)c(O)c2)N1.
What is the InChIKey of 5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione?
The InChIKey is QMYMFXHOUGRMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c18-10-4-1-8(2-5-10)15(13(21)16-14(22)17-15)9-3-6-11(19)12(20)7-9/h1-7,18-20H,(H2,16,17,21,22).
What are the key properties of 5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione?
5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione has a molecular weight of 300.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 3042732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).