5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione

C29H27N3O4 — CID 17399817

IUPAC5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C29H27N3O4/c33-25(23-13-7-14-24(17-23)31-16-8-15-26(31)34)20-32-27(35)29(30-28(32)36,18-21-9-3-1-4-10-21)19-22-11-5-2-6-12-22/h1-7,9-14,17H,8,15-16,18-20H2,(H,30,36)
InChIKeyGLPUFQHGAUBXOW-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.77
Rot. Bonds8

About 5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione

5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione (PubChem CID 17399817) has the molecular formula C29H27N3O4 and a molecular weight of 481.55 g/mol. Its IUPAC name is 5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione
PubChem CID17399817
Molecular FormulaC29H27N3O4
Molecular Weight481.55 g/mol
Exact Mass481.20
IUPAC Name5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C29H27N3O4/c33-25(23-13-7-14-24(17-23)31-16-8-15-26(31)34)20-32-27(35)29(30-28(32)36,18-21-9-3-1-4-10-21)19-22-11-5-2-6-12-22/h1-7,9-14,17H,8,15-16,18-20H2,(H,30,36)
InChIKeyGLPUFQHGAUBXOW-UHFFFAOYSA-N
XLogP3.77
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
CID 70316561
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-phenylcyclopropane-1-carboxylate
CID 8559290
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
1-[3-[2-(1-adamantylsulfanyl)acetyl]phenyl]pyrrolidin-2-one
CID 8513753
5-methylbenzene-1,3-dicarboxylic acid;1-phenylpyrrolidin-2-one
CID 174500100
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
N-[2-(4-fluorophenyl)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110409978
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
3-(2-oxopyrrolidin-1-yl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317766
1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 51278700

Frequently Asked Questions

What is the IUPAC name of 5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione (CID 17399817) is 5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione?
The InChIKey is GLPUFQHGAUBXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4/c33-25(23-13-7-14-24(17-23)31-16-8-15-26(31)34)20-32-27(35)29(30-28(32)36,18-21-9-3-1-4-10-21)19-22-11-5-2-6-12-22/h1-7,9-14,17H,8,15-16,18-20H2,(H,30,36).
What are the key properties of 5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione?
5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione has a molecular weight of 481.55 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibenzyl-3-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 17399817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).