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

C14H15N3O4 — CID 24888678

IUPAC5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(C)NC(=O)NC1=O)C2
InChIInChI=1S/C14H15N3O4/c1-14(12(19)15-13(20)16-14)7-17-6-8-3-4-9(21-2)5-10(8)11(17)18/h3-5H,6-7H2,1-2H3,(H2,15,16,19,20)
InChIKeyBMHLDTHLHCGSBB-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.25
Rot. Bonds3

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

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 24888678) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID24888678
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(C)NC(=O)NC1=O)C2
InChIInChI=1S/C14H15N3O4/c1-14(12(19)15-13(20)16-14)7-17-6-8-3-4-9(21-2)5-10(8)11(17)18/h3-5H,6-7H2,1-2H3,(H2,15,16,19,20)
InChIKeyBMHLDTHLHCGSBB-UHFFFAOYSA-N
XLogP0.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.25
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-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 24888678) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(C)NC(=O)NC1=O)C2.
What is the InChIKey of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is BMHLDTHLHCGSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-14(12(19)15-13(20)16-14)7-17-6-8-3-4-9(21-2)5-10(8)11(17)18/h3-5H,6-7H2,1-2H3,(H2,15,16,19,20).
What are the key properties of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione?
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 289.29 g/mol, XLogP of 0.25, 3 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-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24888678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).