3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one

C32H33F3N6O3 — CID 157290182

About 3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one

3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one (PubChem CID 157290182) has the molecular formula C32H33F3N6O3 and a molecular weight of 606.65 g/mol. Its IUPAC name is 3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one.

Molecular Properties

• Compound Name: 3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one
• PubChem CID: 157290182
• Molecular Formula: C32H33F3N6O3
• Molecular Weight: 606.65 g/mol
• Exact Mass: 606.26
• IUPAC Name: 3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one
• SMILES: CC(C)c1cn(-c2ccc3c(c2)NC(=O)C3(C)C)cn1.CC1(C)C(=O)Nc2cc(-c3nnc(C4(C(F)(F)F)CC4)o3)ccc21
• InChI: InChI=1S/C16H14F3N3O2.C16H19N3O/c1-14(2)9-4-3-8(7-10(9)20-12(14)23)11-21-22-13(24-11)15(5-6-15)16(17,18)19;1-10(2)14-8-19(9-17-14)11-5-6-12-13(7-11)18-15(20)16(12,3)4/h3-4,7H,5-6H2,1-2H3,(H,20,23);5-10H,1-4H3,(H,18,20)
• InChIKey: BASAKTRKLROYQX-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 114.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.65
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one?

The IUPAC name of 3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one (CID 157290182) is 3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one.

What is the SMILES notation for 3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one?

The canonical SMILES for 3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one is CC(C)c1cn(-c2ccc3c(c2)NC(=O)C3(C)C)cn1.CC1(C)C(=O)Nc2cc(-c3nnc(C4(C(F)(F)F)CC4)o3)ccc21.

What is the InChIKey of 3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one?

The InChIKey is BASAKTRKLROYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2.C16H19N3O/c1-14(2)9-4-3-8(7-10(9)20-12(14)23)11-21-22-13(24-11)15(5-6-15)16(17,18)19;1-10(2)14-8-19(9-17-14)11-5-6-12-13(7-11)18-15(20)16(12,3)4/h3-4,7H,5-6H2,1-2H3,(H,20,23);5-10H,1-4H3,(H,18,20).

What are the key properties of 3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one?

3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one has a molecular weight of 606.65 g/mol, XLogP of 6.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-6-(4-propan-2-ylimidazol-1-yl)-1H-indol-2-one;3,3-dimethyl-6-[5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1H-indol-2-one is sourced from PubChem (CID 157290182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).