5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol

C25H20F4N2O2 — CID 59251368

IUPAC5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(F)cc3O)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C25H20F4N2O2/c1-24(2,33)22-14-31(23(30-22)19-5-3-4-6-20(19)25(27,28)29)17-10-7-15(8-11-17)18-12-9-16(26)13-21(18)32/h3-14,32-33H,1-2H3
InChIKeyBLXAUGXBPRYSMF-UHFFFAOYSA-N
MW456.44 g/mol
LogP6.30
Rot. Bonds4

About 5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol

5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol (PubChem CID 59251368) has the molecular formula C25H20F4N2O2 and a molecular weight of 456.44 g/mol. Its IUPAC name is 5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol
PubChem CID59251368
Molecular FormulaC25H20F4N2O2
Molecular Weight456.44 g/mol
Exact Mass456.15
IUPAC Name5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(F)cc3O)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C25H20F4N2O2/c1-24(2,33)22-14-31(23(30-22)19-5-3-4-6-20(19)25(27,28)29)17-10-7-15(8-11-17)18-12-9-16(26)13-21(18)32/h3-14,32-33H,1-2H3
InChIKeyBLXAUGXBPRYSMF-UHFFFAOYSA-N
XLogP6.30
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.44
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol?
The IUPAC name of 5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol (CID 59251368) is 5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol.
What is the SMILES notation for 5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol?
The canonical SMILES for 5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol is CC(C)(O)c1cn(-c2ccc(-c3ccc(F)cc3O)cc2)c(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol?
The InChIKey is BLXAUGXBPRYSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N2O2/c1-24(2,33)22-14-31(23(30-22)19-5-3-4-6-20(19)25(27,28)29)17-10-7-15(8-11-17)18-12-9-16(26)13-21(18)32/h3-14,32-33H,1-2H3.
What are the key properties of 5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol?
5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol has a molecular weight of 456.44 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[4-(2-hydroxypropan-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]phenol is sourced from PubChem (CID 59251368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).