3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione

C25H27N3O4S — CID 60617609

IUPAC3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCOc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)NC(C)(c4ccsc4)C3=O)c2C)cc1
InChIInChI=1S/C25H27N3O4S/c1-16-13-21(17(2)27(16)11-9-18-5-7-20(32-4)8-6-18)22(29)14-28-23(30)25(3,26-24(28)31)19-10-12-33-15-19/h5-8,10,12-13,15H,9,11,14H2,1-4H3,(H,26,31)
InChIKeyRMUHTAPJSBGSPY-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.07
Rot. Bonds8

About 3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione

3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 60617609) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is 3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID60617609
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
SMILESCOc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)NC(C)(c4ccsc4)C3=O)c2C)cc1
InChIInChI=1S/C25H27N3O4S/c1-16-13-21(17(2)27(16)11-9-18-5-7-20(32-4)8-6-18)22(29)14-28-23(30)25(3,26-24(28)31)19-10-12-33-15-19/h5-8,10,12-13,15H,9,11,14H2,1-4H3,(H,26,31)
InChIKeyRMUHTAPJSBGSPY-UHFFFAOYSA-N
XLogP4.07
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7181977
5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 24520074
3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815456
5,6-dichloro-2-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2490696
(5R)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580032
(5S)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178272
(5R)-3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242269
3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 42984685
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7883965
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94812329
3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 43028359
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 56527285

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione (CID 60617609) is 3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione is COc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)NC(C)(c4ccsc4)C3=O)c2C)cc1.
What is the InChIKey of 3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is RMUHTAPJSBGSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-16-13-21(17(2)27(16)11-9-18-5-7-20(32-4)8-6-18)22(29)14-28-23(30)25(3,26-24(28)31)19-10-12-33-15-19/h5-8,10,12-13,15H,9,11,14H2,1-4H3,(H,26,31).
What are the key properties of 3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione?
3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 465.58 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 60617609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).