3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione

C22H20F2N6O3 — CID 163283179

About 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 163283179) has the molecular formula C22H20F2N6O3 and a molecular weight of 454.44 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 163283179
• Molecular Formula: C22H20F2N6O3
• Molecular Weight: 454.44 g/mol
• Exact Mass: 454.16
• IUPAC Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione
• SMILES: CC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1cccc2c1CCN2
• InChI: InChI=1S/C22H20F2N6O3/c1-22(2)20(31)29(21(32)30(22)16-5-3-4-15-14(16)8-9-25-15)11-13-7-6-12(10-26-13)18-27-28-19(33-18)17(23)24/h3-7,10,17,25H,8-9,11H2,1-2H3
• InChIKey: GFJYUKBDBMCIGM-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 104.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.44
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
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]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione (CID 163283179) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1cccc2c1CCN2.

What is the InChIKey of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is GFJYUKBDBMCIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O3/c1-22(2)20(31)29(21(32)30(22)16-5-3-4-15-14(16)8-9-25-15)11-13-7-6-12(10-26-13)18-27-28-19(33-18)17(23)24/h3-7,10,17,25H,8-9,11H2,1-2H3.

What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione?

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 454.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 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]-1-(2,3-dihydro-1H-indol-4-yl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 163283179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).