5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione

C19H17N3O4 — CID 11653224

IUPAC5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)CN(CC1(c3ccccc3)NC(=O)NC1=O)C2=O
InChIInChI=1S/C19H17N3O4/c1-26-14-7-8-15-12(9-14)10-22(16(15)23)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)
InChIKeyBBWGZCJZNXEKGH-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.39
Rot. Bonds4

About 5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione

5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 11653224) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID11653224
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)CN(CC1(c3ccccc3)NC(=O)NC1=O)C2=O
InChIInChI=1S/C19H17N3O4/c1-26-14-7-8-15-12(9-14)10-22(16(15)23)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)
InChIKeyBBWGZCJZNXEKGH-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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Related Compounds

(R)-5-((4-fluorophenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 17754304
(R)-5-((3-fluorophenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 17754779
(R)-3-((4-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-2,5-dioxoimidazolidin-4-yl)ethynyl)benzonitrile
CID 17754781
(R)-5-(4-fluorophenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46845559
(R)-5-(4-fluorophenyl)-5-((5-hydroxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46881611
(R)-5-((3-isopropylphenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52941256
(R)-5-((2-fluorophenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52942483
(R)-4-((4-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-2,5-dioxoimidazolidin-4-yl)ethynyl)benzamide
CID 52942509
(R)-5-((4-((4-ethylpiperazin-1-yl)(hydroxyimino)methyl)phenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52943632
(R)-5-((4-acetylphenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52944923
(R)-5-((4-((4-ethylpiperazin-1-yl)methyl)phenyl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52947303
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-((4-methoxyphenyl)ethynyl)imidazolidine-2,4-dione
CID 52947338

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione (CID 11653224) is 5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione is COc1ccc2c(c1)CN(CC1(c3ccccc3)NC(=O)NC1=O)C2=O.
What is the InChIKey of 5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is BBWGZCJZNXEKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-26-14-7-8-15-12(9-14)10-22(16(15)23)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-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
5-[(6-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-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 11653224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).