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

C16H11F3N2O — CID 10470279

IUPAC4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol
SMILESOc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)15-20-13(10-4-2-1-3-5-10)14(21-15)11-6-8-12(22)9-7-11/h1-9,22H,(H,20,21)
InChIKeySUWCEHWCBVMVIJ-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.47
Rot. Bonds2

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

4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol (PubChem CID 10470279) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol
PubChem CID10470279
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol
SMILESOc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)15-20-13(10-4-2-1-3-5-10)14(21-15)11-6-8-12(22)9-7-11/h1-9,22H,(H,20,21)
InChIKeySUWCEHWCBVMVIJ-UHFFFAOYSA-N
XLogP4.47
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol?
The IUPAC name of 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol (CID 10470279) is 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol?
The canonical SMILES for 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol is Oc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol?
The InChIKey is SUWCEHWCBVMVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)15-20-13(10-4-2-1-3-5-10)14(21-15)11-6-8-12(22)9-7-11/h1-9,22H,(H,20,21).
What are the key properties of 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol?
4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol has a molecular weight of 304.27 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-2-(trifluoromethyl)-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 10470279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).