1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol

C17H12ClF4N3O2 — CID 134396593

IUPAC1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol
SMILESOC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H12ClF4N3O2/c18-10-1-3-11(4-2-10)27-16-5-13(17(20,21)22)12(6-24-16)14(26)8-25-9-23-7-15(25)19/h1-7,9,14,26H,8H2
InChIKeyGROOZHRCEMRXCU-UHFFFAOYSA-N
MW401.75 g/mol
LogP4.62
Rot. Bonds5

About 1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol

1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol (PubChem CID 134396593) has the molecular formula C17H12ClF4N3O2 and a molecular weight of 401.75 g/mol. Its IUPAC name is 1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol
PubChem CID134396593
Molecular FormulaC17H12ClF4N3O2
Molecular Weight401.75 g/mol
Exact Mass401.06
IUPAC Name1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol
SMILESOC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H12ClF4N3O2/c18-10-1-3-11(4-2-10)27-16-5-13(17(20,21)22)12(6-24-16)14(26)8-25-9-23-7-15(25)19/h1-7,9,14,26H,8H2
InChIKeyGROOZHRCEMRXCU-UHFFFAOYSA-N
XLogP4.62
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.75
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol?
The IUPAC name of 1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol (CID 134396593) is 1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol.
What is the SMILES notation for 1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol?
The canonical SMILES for 1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol is OC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F.
What is the InChIKey of 1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol?
The InChIKey is GROOZHRCEMRXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF4N3O2/c18-10-1-3-11(4-2-10)27-16-5-13(17(20,21)22)12(6-24-16)14(26)8-25-9-23-7-15(25)19/h1-7,9,14,26H,8H2.
What are the key properties of 1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol?
1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol has a molecular weight of 401.75 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol is sourced from PubChem (CID 134396593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).