3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione

C25H20F2N6O3 — CID 163283146

About 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione (PubChem CID 163283146) has the molecular formula C25H20F2N6O3 and a molecular weight of 490.47 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione
• PubChem CID: 163283146
• Molecular Formula: C25H20F2N6O3
• Molecular Weight: 490.47 g/mol
• Exact Mass: 490.16
• IUPAC Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione
• SMILES: CC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1ccc(-c2ccncc2)cc1
• InChI: InChI=1S/C25H20F2N6O3/c1-25(2)23(34)32(14-18-6-3-17(13-29-18)21-30-31-22(36-21)20(26)27)24(35)33(25)19-7-4-15(5-8-19)16-9-11-28-12-10-16/h3-13,20H,14H2,1-2H3
• InChIKey: XLNRNISSJRPMOY-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 105.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.47
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione?

The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione (CID 163283146) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione.

What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione?

The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione is CC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1ccc(-c2ccncc2)cc1.

What is the InChIKey of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione?

The InChIKey is XLNRNISSJRPMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O3/c1-25(2)23(34)32(14-18-6-3-17(13-29-18)21-30-31-22(36-21)20(26)27)24(35)33(25)19-7-4-15(5-8-19)16-9-11-28-12-10-16/h3-13,20H,14H2,1-2H3.

What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione?

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 490.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5,5-dimethyl-1-(4-pyridin-4-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 163283146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).