5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C25H27N3O5 — CID 24520074

IUPAC5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)NC(C)(c4ccco4)C3=O)c2C)cc1
InChIInChI=1S/C25H27N3O5/c1-16-14-20(17(2)27(16)12-11-18-7-9-19(32-4)10-8-18)21(29)15-28-23(30)25(3,26-24(28)31)22-6-5-13-33-22/h5-10,13-14H,11-12,15H2,1-4H3,(H,26,31)
InChIKeyJXROWFPPVDUDFB-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.60
Rot. Bonds8

About 5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 24520074) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID24520074
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)NC(C)(c4ccco4)C3=O)c2C)cc1
InChIInChI=1S/C25H27N3O5/c1-16-14-20(17(2)27(16)12-11-18-7-9-19(32-4)10-8-18)21(29)15-28-23(30)25(3,26-24(28)31)22-6-5-13-33-22/h5-10,13-14H,11-12,15H2,1-4H3,(H,26,31)
InChIKeyJXROWFPPVDUDFB-UHFFFAOYSA-N
XLogP3.60
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.60
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
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
2-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 92785314
5,6-dichloro-2-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2490696
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51259022
(5R)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580032
5-(1-benzofuran-2-yl)-3-[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 22107875
5-(furan-2-yl)-5-methyl-3-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 122149444
3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815456
(5S)-3-[2-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 41271458
(5R)-3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242269
3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
CID 7628279

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 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) is 5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is COc1ccc(CCn2c(C)cc(C(=O)CN3C(=O)NC(C)(c4ccco4)C3=O)c2C)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is JXROWFPPVDUDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-16-14-20(17(2)27(16)12-11-18-7-9-19(32-4)10-8-18)21(29)15-28-23(30)25(3,26-24(28)31)22-6-5-13-33-22/h5-10,13-14H,11-12,15H2,1-4H3,(H,26,31).
What are the key properties of 5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 449.51 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24520074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).