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

C16H11F3N2O — CID 174855341

IUPAC4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol
SMILESOc1ccc(-n2cc(-c3ccccc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)15-20-14(11-4-2-1-3-5-11)10-21(15)12-6-8-13(22)9-7-12/h1-10,22H
InChIKeyYAZRNNZBWMZUHC-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.26
Rot. Bonds2

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

4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol (PubChem CID 174855341) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol.

Molecular Properties

Compound Name4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol
PubChem CID174855341
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol
SMILESOc1ccc(-n2cc(-c3ccccc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)15-20-14(11-4-2-1-3-5-11)10-21(15)12-6-8-13(22)9-7-12/h1-10,22H
InChIKeyYAZRNNZBWMZUHC-UHFFFAOYSA-N
XLogP4.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sb-202190
CID 5169
1-(p-Hydroxyphenyl)imidazole
CID 82315
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4-(2-phenyl-1H-benzo[d]imidazol-1-yl)phenol
CID 44405888
2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
2-(4-Difluoromethoxy-phenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
CID 1387702
1-(4-Methoxy-phenyl)-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16235770
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
1-(4-Difluoromethoxy-phenyl)-3-p-tolyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium
CID 16682049
5-ethyl-1,2,4-tris(4-hydroxyphenyl)-1H-imidazole
CID 135502974
4-[[5-(4-Fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
CID 11347754

Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol?
The IUPAC name of 4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol (CID 174855341) is 4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol.
What is the SMILES notation for 4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol?
The canonical SMILES for 4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol is Oc1ccc(-n2cc(-c3ccccc3)nc2C(F)(F)F)cc1.
What is the InChIKey of 4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol?
The InChIKey is YAZRNNZBWMZUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)15-20-14(11-4-2-1-3-5-11)10-21(15)12-6-8-13(22)9-7-12/h1-10,22H.
What are the key properties of 4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol?
4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol has a molecular weight of 304.27 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-2-(trifluoromethyl)imidazol-1-yl]phenol is sourced from PubChem (CID 174855341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).