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

C35H26Cl2F8N6O4 — CID 160960467

IUPAC2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol
SMILESCOC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F.OC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H14ClF4N3O2.C17H12ClF4N3O2/c1-27-15(9-26-10-24-8-16(26)20)13-7-25-17(6-14(13)18(21,22)23)28-12-4-2-11(19)3-5-12;18-10-1-3-11(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/h2-8,10,15H,9H2,1H3;1-7,9,14,26H,8H2
InChIKeySWYFSGUCXHZSGG-UHFFFAOYSA-N
MW817.52 g/mol
LogP9.88
Rot. Bonds11

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

2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol (PubChem CID 160960467) has the molecular formula C35H26Cl2F8N6O4 and a molecular weight of 817.52 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol
PubChem CID160960467
Molecular FormulaC35H26Cl2F8N6O4
Molecular Weight817.52 g/mol
Exact Mass816.13
IUPAC Name2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol
SMILESCOC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F.OC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H14ClF4N3O2.C17H12ClF4N3O2/c1-27-15(9-26-10-24-8-16(26)20)13-7-25-17(6-14(13)18(21,22)23)28-12-4-2-11(19)3-5-12;18-10-1-3-11(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/h2-8,10,15H,9H2,1H3;1-7,9,14,26H,8H2
InChIKeySWYFSGUCXHZSGG-UHFFFAOYSA-N
XLogP9.88
TPSA109.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.52
LogP ≤ 59.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol?
The IUPAC name of 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol (CID 160960467) is 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol is COC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F.OC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol?
The InChIKey is SWYFSGUCXHZSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF4N3O2.C17H12ClF4N3O2/c1-27-15(9-26-10-24-8-16(26)20)13-7-25-17(6-14(13)18(21,22)23)28-12-4-2-11(19)3-5-12;18-10-1-3-11(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/h2-8,10,15H,9H2,1H3;1-7,9,14,26H,8H2.
What are the key properties of 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol?
2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol has a molecular weight of 817.52 g/mol, XLogP of 9.88, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine;1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(5-fluoroimidazol-1-yl)ethanol is sourced from PubChem (CID 160960467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).