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

C26H20F6N2O2 — CID 59251460

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

2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251460) has the molecular formula C26H20F6N2O2 and a molecular weight of 506.45 g/mol. Its IUPAC name is 2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
• PubChem CID: 59251460
• Molecular Formula: C26H20F6N2O2
• Molecular Weight: 506.45 g/mol
• Exact Mass: 506.14
• IUPAC Name: 2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
• SMILES: CC(C)(O)c1cn(-c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)c(-c2ccccc2C(F)(F)F)n1
• InChI: InChI=1S/C26H20F6N2O2/c1-24(2,35)22-15-34(23(33-22)20-8-3-4-9-21(20)25(27,28)29)18-7-5-6-17(14-18)16-10-12-19(13-11-16)36-26(30,31)32/h3-15,35H,1-2H3
• InChIKey: RIDLHYSMGSXBAF-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 47.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.45
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251460) is 2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

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

The canonical SMILES for 2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2cccc(-c3ccc(OC(F)(F)F)cc3)c2)c(-c2ccccc2C(F)(F)F)n1.

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

The InChIKey is RIDLHYSMGSXBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F6N2O2/c1-24(2,35)22-15-34(23(33-22)20-8-3-4-9-21(20)25(27,28)29)18-7-5-6-17(14-18)16-10-12-19(13-11-16)36-26(30,31)32/h3-15,35H,1-2H3.

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

2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 506.45 g/mol, XLogP of 7.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-[4-(trifluoromethoxy)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).