2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

C28H27F3N2O3S — CID 59251229

About 2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251229) has the molecular formula C28H27F3N2O3S and a molecular weight of 528.60 g/mol. Its IUPAC name is 2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
• PubChem CID: 59251229
• Molecular Formula: C28H27F3N2O3S
• Molecular Weight: 528.60 g/mol
• Exact Mass: 528.17
• IUPAC Name: 2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
• SMILES: CC(C)S(=O)(=O)c1cccc(-c2cccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)c2)c1
• InChI: InChI=1S/C28H27F3N2O3S/c1-18(2)37(35,36)22-12-8-10-20(16-22)19-9-7-11-21(15-19)33-17-25(27(3,4)34)32-26(33)23-13-5-6-14-24(23)28(29,30)31/h5-18,34H,1-4H3
• InChIKey: UTWAWMNHQGIABB-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 72.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.60
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?

The IUPAC name of 2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251229) is 2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

What is the SMILES notation for 2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?

The canonical SMILES for 2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is CC(C)S(=O)(=O)c1cccc(-c2cccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)c2)c1.

What is the InChIKey of 2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?

The InChIKey is UTWAWMNHQGIABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2O3S/c1-18(2)37(35,36)22-12-8-10-20(16-22)19-9-7-11-21(15-19)33-17-25(27(3,4)34)32-26(33)23-13-5-6-14-24(23)28(29,30)31/h5-18,34H,1-4H3.

What are the key properties of 2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?

2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 528.60 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-(3-propan-2-ylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).