5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C25H26FN3O4 — CID 60617391

IUPAC5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C2(C)NC(=O)N(CC(=O)c3cc(C)n(Cc4ccc(F)cc4)c3C)C2=O)c(C)o1
InChIInChI=1S/C25H26FN3O4/c1-14-10-20(16(3)28(14)12-18-6-8-19(26)9-7-18)22(30)13-29-23(31)25(5,27-24(29)32)21-11-15(2)33-17(21)4/h6-11H,12-13H2,1-5H3,(H,27,32)
InChIKeyIABRYUUPSIBQMH-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.15
Rot. Bonds6

About 5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 60617391) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID60617391
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC Name5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C2(C)NC(=O)N(CC(=O)c3cc(C)n(Cc4ccc(F)cc4)c3C)C2=O)c(C)o1
InChIInChI=1S/C25H26FN3O4/c1-14-10-20(16(3)28(14)12-18-6-8-19(26)9-7-18)22(30)13-29-23(31)25(5,27-24(29)32)21-11-15(2)33-17(21)4/h6-11H,12-13H2,1-5H3,(H,27,32)
InChIKeyIABRYUUPSIBQMH-UHFFFAOYSA-N
XLogP4.15
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 60617391) is 5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C2(C)NC(=O)N(CC(=O)c3cc(C)n(Cc4ccc(F)cc4)c3C)C2=O)c(C)o1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is IABRYUUPSIBQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-14-10-20(16(3)28(14)12-18-6-8-19(26)9-7-18)22(30)13-29-23(31)25(5,27-24(29)32)21-11-15(2)33-17(21)4/h6-11H,12-13H2,1-5H3,(H,27,32).
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 451.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-3-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 60617391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).