5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile

C25H24F2N4O3 — CID 10226848

IUPAC5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile
SMILESN#Cc1cc(F)ccc1C1CCN(CCCN2C(=O)NC3(COc4cc(F)ccc43)C2=O)CC1
InChIInChI=1S/C25H24F2N4O3/c26-18-2-4-20(17(12-18)14-28)16-6-10-30(11-7-16)8-1-9-31-23(32)25(29-24(31)33)15-34-22-13-19(27)3-5-21(22)25/h2-5,12-13,16H,1,6-11,15H2,(H,29,33)
InChIKeyAWRLUIIXWNNNMC-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.25
Rot. Bonds5

About 5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile

5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile (PubChem CID 10226848) has the molecular formula C25H24F2N4O3 and a molecular weight of 466.49 g/mol. Its IUPAC name is 5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile
PubChem CID10226848
Molecular FormulaC25H24F2N4O3
Molecular Weight466.49 g/mol
Exact Mass466.18
IUPAC Name5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile
SMILESN#Cc1cc(F)ccc1C1CCN(CCCN2C(=O)NC3(COc4cc(F)ccc43)C2=O)CC1
InChIInChI=1S/C25H24F2N4O3/c26-18-2-4-20(17(12-18)14-28)16-6-10-30(11-7-16)8-1-9-31-23(32)25(29-24(31)33)15-34-22-13-19(27)3-5-21(22)25/h2-5,12-13,16H,1,6-11,15H2,(H,29,33)
InChIKeyAWRLUIIXWNNNMC-UHFFFAOYSA-N
XLogP3.25
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile 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-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile?
The IUPAC name of 5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile (CID 10226848) is 5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile?
The canonical SMILES for 5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile is N#Cc1cc(F)ccc1C1CCN(CCCN2C(=O)NC3(COc4cc(F)ccc43)C2=O)CC1.
What is the InChIKey of 5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile?
The InChIKey is AWRLUIIXWNNNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O3/c26-18-2-4-20(17(12-18)14-28)16-6-10-30(11-7-16)8-1-9-31-23(32)25(29-24(31)33)15-34-22-13-19(27)3-5-21(22)25/h2-5,12-13,16H,1,6-11,15H2,(H,29,33).
What are the key properties of 5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile?
5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile has a molecular weight of 466.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[3-(6-fluoro-2',5'-dioxospiro[2H-1-benzofuran-3,4'-imidazolidine]-1'-yl)propyl]piperidin-4-yl]benzonitrile is sourced from PubChem (CID 10226848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).