(3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol

C14H15F3N2O2 — CID 66163040

IUPAC(3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESCC(C)n1cncc1C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c1-9(2)19-8-18-7-11(19)13(20)10-5-3-4-6-12(10)21-14(15,16)17/h3-9,13,20H,1-2H3
InChIKeyZWFBKOADMDAMRI-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.44
Rot. Bonds4

About (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol

(3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol (PubChem CID 66163040) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol
PubChem CID66163040
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name(3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESCC(C)n1cncc1C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H15F3N2O2/c1-9(2)19-8-18-7-11(19)13(20)10-5-3-4-6-12(10)21-14(15,16)17/h3-9,13,20H,1-2H3
InChIKeyZWFBKOADMDAMRI-UHFFFAOYSA-N
XLogP3.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 66164038
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 105092804
(2-ethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975893
(2-fluoro-5-methylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 66162043
(5-bromo-2-fluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 79742818
(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975892
2-(2-methoxyphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162236
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792609
(2-bromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 62791669
(4-ethynylphenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 86718233

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol (CID 66163040) is (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol is CC(C)n1cncc1C(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is ZWFBKOADMDAMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-9(2)19-8-18-7-11(19)13(20)10-5-3-4-6-12(10)21-14(15,16)17/h3-9,13,20H,1-2H3.
What are the key properties of (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol?
(3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 300.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylimidazol-4-yl)-[2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 66163040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).