4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol

C16H11F3N2O2 — CID 135502945

IUPAC4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol
SMILESOc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)14-9-21(11-3-7-13(23)8-4-11)15(20-14)10-1-5-12(22)6-2-10/h1-9,22-23H
InChIKeyLLEDZXMPPODIEP-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.97
Rot. Bonds2

About 4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol

4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol (PubChem CID 135502945) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol
PubChem CID135502945
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol
SMILESOc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)14-9-21(11-3-7-13(23)8-4-11)15(20-14)10-1-5-12(22)6-2-10/h1-9,22-23H
InChIKeyLLEDZXMPPODIEP-UHFFFAOYSA-N
XLogP3.97
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sb-202190
CID 5169
2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
4-(4-methoxyphenyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-imidazole
CID 6539911
2-(4-Difluoromethoxy-phenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
CID 1387702
4-[4-(4-Fluorophenyl)-2-pyrimidinyl]benzenol
CID 1479911
4-Imidazo[1,2-a]pyridin-2-yl-phenol
CID 16682232
1-(4-(difluoromethoxy)phenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium bromide
CID 16682007
5-ethyl-1,2,4-tris(4-hydroxyphenyl)-1H-imidazole
CID 135502974
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
4-[[5-(4-Fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
CID 11347754
2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine
CID 44418336
2-(2-Fluorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine
CID 44427155

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol (CID 135502945) is 4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol is Oc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol?
The InChIKey is LLEDZXMPPODIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)14-9-21(11-3-7-13(23)8-4-11)15(20-14)10-1-5-12(22)6-2-10/h1-9,22-23H.
What are the key properties of 4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol?
4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol has a molecular weight of 320.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenol is sourced from PubChem (CID 135502945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).