(5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione

C15H17N3O3 — CID 97110330

IUPAC(5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)[C@@H](CC(=O)N2Cc3ccccc3C2)N(C)C1=O
InChIInChI=1S/C15H17N3O3/c1-16-12(14(20)17(2)15(16)21)7-13(19)18-8-10-5-3-4-6-11(10)9-18/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyFRDFIHKVHRZTBE-GFCCVEGCSA-N
MW287.32 g/mol
LogP0.81
Rot. Bonds2

About (5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione

(5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione (PubChem CID 97110330) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
PubChem CID97110330
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
SMILESCN1C(=O)[C@@H](CC(=O)N2Cc3ccccc3C2)N(C)C1=O
InChIInChI=1S/C15H17N3O3/c1-16-12(14(20)17(2)15(16)21)7-13(19)18-8-10-5-3-4-6-11(10)9-18/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyFRDFIHKVHRZTBE-GFCCVEGCSA-N
XLogP0.81
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione with MolForge

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Related Compounds

5-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione
CID 2954380
1-(1,3-dihydroisoindol-2-yl)butan-1-one
CID 63613926
1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone
CID 62230150
S-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl] ethanethioate
CID 166512227
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 74251083
1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
CID 110472108
N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 95502097
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 97134428
N-[(1-benzylpyrazol-4-yl)methyl]-2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 97156487
4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one
CID 23091988
methyl 5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate
CID 46113477
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione (CID 97110330) is (5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione is CN1C(=O)[C@@H](CC(=O)N2Cc3ccccc3C2)N(C)C1=O.
What is the InChIKey of (5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione?
The InChIKey is FRDFIHKVHRZTBE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-16-12(14(20)17(2)15(16)21)7-13(19)18-8-10-5-3-4-6-11(10)9-18/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione?
(5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione has a molecular weight of 287.32 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1,3-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 97110330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).