3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

C26H31N3O5 — CID 17441468

IUPAC3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)CN2C(=O)NC(C)(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C26H31N3O5/c1-26(14-13-18-8-5-4-6-9-18)24(31)29(25(32)27-26)17-23(30)28-15-7-10-21(28)20-16-19(33-2)11-12-22(20)34-3/h4-6,8-9,11-12,16,21H,7,10,13-15,17H2,1-3H3,(H,27,32)
InChIKeyNJFYGKWHTDJXND-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.31
Rot. Bonds8

About 3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione

3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 17441468) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID17441468
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)CN2C(=O)NC(C)(CCc3ccccc3)C2=O)c1
InChIInChI=1S/C26H31N3O5/c1-26(14-13-18-8-5-4-6-9-18)24(31)29(25(32)27-26)17-23(30)28-15-7-10-21(28)20-16-19(33-2)11-12-22(20)34-3/h4-6,8-9,11-12,16,21H,7,10,13-15,17H2,1-3H3,(H,27,32)
InChIKeyNJFYGKWHTDJXND-UHFFFAOYSA-N
XLogP3.31
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3'-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 41041216
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41411048
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41411043
(5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 41012964
(5S)-3-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41176561
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
(5S)-5-benzyl-3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 26008911
2-[4-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 29364471
1-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 51318852
2-[4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 29364468
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 8507246
(2S)-2-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)pyrrolidine-1-carbothioamide
CID 9283381

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 17441468) is 3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is COc1ccc(OC)c(C2CCCN2C(=O)CN2C(=O)NC(C)(CCc3ccccc3)C2=O)c1.
What is the InChIKey of 3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is NJFYGKWHTDJXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-26(14-13-18-8-5-4-6-9-18)24(31)29(25(32)27-26)17-23(30)28-15-7-10-21(28)20-16-19(33-2)11-12-22(20)34-3/h4-6,8-9,11-12,16,21H,7,10,13-15,17H2,1-3H3,(H,27,32).
What are the key properties of 3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione?
3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 465.55 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 17441468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).