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

C19H17N3O4 — CID 11717287

IUPAC(5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)CN(C[C@]1(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)/t19-/m1/s1
InChIKeyBBWGZCJZNXEKGH-LJQANCHMSA-N
MW351.36 g/mol
LogP1.39
Rot. Bonds4

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

(5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 11717287) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID11717287
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)CN(C[C@]1(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)/t19-/m1/s1
InChIKeyBBWGZCJZNXEKGH-LJQANCHMSA-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

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 46881522
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143512854
5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 126748420
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione
CID 24871753
5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 76680334
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione
CID 24888848
5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 91258994
N-[4-[4-[[6-(fluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]formamide
CID 89344425
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 24889700
5-(4-fluorophenyl)-5-[(3-oxo-6-propyl-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 67579699
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione
CID 24888849
5-(4-fluorophenyl)-5-[[3-oxo-6-[(2-oxo-1H-pyridin-4-yl)methoxy]-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 70328628

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione (CID 11717287) is (5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione is COc1ccc2c(c1)CN(C[C@]1(c3ccccc3)NC(=O)NC1=O)C2=O.
What is the InChIKey of (5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is BBWGZCJZNXEKGH-LJQANCHMSA-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)/t19-/m1/s1.
What are the key properties of (5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione?
(5S)-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 (5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 11717287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).