5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione

C19H17N3O4 — CID 46881522

IUPAC5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3ccccc3)NC(=O)NC1=O)C2
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/h2-9H,10-11H2,1H3,(H2,20,21,24,25)
InChIKeyNNUDSTKYGPKRGA-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.39
Rot. Bonds4

About 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 46881522) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID46881522
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3ccccc3)NC(=O)NC1=O)C2
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/h2-9H,10-11H2,1H3,(H2,20,21,24,25)
InChIKeyNNUDSTKYGPKRGA-UHFFFAOYSA-N
XLogP1.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione (CID 46881522) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3ccccc3)NC(=O)NC1=O)C2.
What is the InChIKey of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is NNUDSTKYGPKRGA-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/h2-9H,10-11H2,1H3,(H2,20,21,24,25).
What are the key properties of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 351.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 46881522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).