5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide

C24H25F4N3O3 — CID 166630831

About 5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide

5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide (PubChem CID 166630831) has the molecular formula C24H25F4N3O3 and a molecular weight of 482.49 g/mol. Its IUPAC name is 5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide.

Molecular Properties

• Compound Name: 5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
• PubChem CID: 166630831
• Molecular Formula: C24H25F4N3O3
• Molecular Weight: 482.49 g/mol
• Exact Mass: 482.20
• IUPAC Name: 5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
• SMILES: [2H]C([2H])([2H])c1ccccc1NC(=O)c1cc(F)c(-c2cn(C)c(C(C)(C)O)n2)cc1O[C@@H](C)C(F)(F)F
• InChI: InChI=1S/C24H25F4N3O3/c1-13-8-6-7-9-18(13)29-21(32)16-10-17(25)15(11-20(16)34-14(2)24(26,27)28)19-12-31(5)22(30-19)23(3,4)33/h6-12,14,33H,1-5H3,(H,29,32)/t14-/m0/s1/i1D3
• InChIKey: JGGJFEOIKVIQJV-FVELLDLOSA-N
• XLogP: 5.34
• TPSA: 76.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.49
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide?

The IUPAC name of 5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide (CID 166630831) is 5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide.

What is the SMILES notation for 5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide?

The canonical SMILES for 5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide is [2H]C([2H])([2H])c1ccccc1NC(=O)c1cc(F)c(-c2cn(C)c(C(C)(C)O)n2)cc1O[C@@H](C)C(F)(F)F.

What is the InChIKey of 5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide?

The InChIKey is JGGJFEOIKVIQJV-FVELLDLOSA-N. The full InChI is InChI=1S/C24H25F4N3O3/c1-13-8-6-7-9-18(13)29-21(32)16-10-17(25)15(11-20(16)34-14(2)24(26,27)28)19-12-31(5)22(30-19)23(3,4)33/h6-12,14,33H,1-5H3,(H,29,32)/t14-/m0/s1/i1D3.

What are the key properties of 5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide?

5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide has a molecular weight of 482.49 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-N-[2-(trideuteriomethyl)phenyl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide is sourced from PubChem (CID 166630831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).