5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione

C19H17N3O4 — CID 91258994

IUPAC5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc2cn(CC3(c4ccccc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C19H17N3O4/c1-26-14-8-7-12-10-22(16(23)15(12)9-14)11-19(13-5-3-2-4-6-13)17(24)20-18(25)21-19/h2-10,23H,11H2,1H3,(H2,20,21,24,25)
InChIKeyJMFPSNROYOWDID-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.09
Rot. Bonds4

About 5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione

5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 91258994) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID91258994
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc2cn(CC3(c4ccccc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C19H17N3O4/c1-26-14-8-7-12-10-22(16(23)15(12)9-14)11-19(13-5-3-2-4-6-13)17(24)20-18(25)21-19/h2-10,23H,11H2,1H3,(H2,20,21,24,25)
InChIKeyJMFPSNROYOWDID-UHFFFAOYSA-N
XLogP2.09
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91078725
5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90972982
4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
CID 91410877
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90714852
5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 91518354
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione
CID 123880370
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-(1-propan-2-ylpyrazol-4-yl)imidazolidine-2,4-dione
CID 90994832
(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
(5R)-5-[1-(4-fluorophenyl)pyrazol-4-yl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91502991
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-(1,3-thiazol-2-yl)imidazolidine-2,4-dione
CID 90884281

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione (CID 91258994) is 5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione is COc1ccc2cn(CC3(c4ccccc4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of 5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is JMFPSNROYOWDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-26-14-8-7-12-10-22(16(23)15(12)9-14)11-19(13-5-3-2-4-6-13)17(24)20-18(25)21-19/h2-10,23H,11H2,1H3,(H2,20,21,24,25).
What are the key properties of 5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 351.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 91258994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).