5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione

C19H17N3O5 — CID 91518354

IUPAC5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(O)n(CC3(c4ccc(O)cc4)NC(=O)NC3=O)cc2c1
InChIInChI=1S/C19H17N3O5/c1-27-14-6-7-15-11(8-14)9-22(16(15)24)10-19(17(25)20-18(26)21-19)12-2-4-13(23)5-3-12/h2-9,23-24H,10H2,1H3,(H2,20,21,25,26)
InChIKeyQXFOXXSPNWMAIF-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.80
Rot. Bonds4

About 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione

5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione (PubChem CID 91518354) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
PubChem CID91518354
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(O)n(CC3(c4ccc(O)cc4)NC(=O)NC3=O)cc2c1
InChIInChI=1S/C19H17N3O5/c1-27-14-6-7-15-11(8-14)9-22(16(15)24)10-19(17(25)20-18(26)21-19)12-2-4-13(23)5-3-12/h2-9,23-24H,10H2,1H3,(H2,20,21,25,26)
InChIKeyQXFOXXSPNWMAIF-UHFFFAOYSA-N
XLogP1.80
TPSA112.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(4-fluorophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91099618
(5R)-5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
CID 91337439
5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 91258994
(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91078725
4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
CID 91410877
5-[(5-bromo-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 91572855
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90714852
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 91246364
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione
CID 91571638
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione
CID 123880370
5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 91071298
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione
CID 90994832

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione (CID 91518354) is 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione is COc1ccc2c(O)n(CC3(c4ccc(O)cc4)NC(=O)NC3=O)cc2c1.
What is the InChIKey of 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione?
The InChIKey is QXFOXXSPNWMAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-27-14-6-7-15-11(8-14)9-22(16(15)24)10-19(17(25)20-18(26)21-19)12-2-4-13(23)5-3-12/h2-9,23-24H,10H2,1H3,(H2,20,21,25,26).
What are the key properties of 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione?
5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione has a molecular weight of 367.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 91518354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).