2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine

C25H27F4N3O2 — CID 162612684

IUPAC2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCCC1(F)CCC(c2ncc(-c3ccc(OCc4ccc(C(F)(F)F)cn4)c(OC)c3)[nH]2)CC1
InChIInChI=1S/C25H27F4N3O2/c1-3-24(26)10-8-16(9-11-24)23-31-14-20(32-23)17-4-7-21(22(12-17)33-2)34-15-19-6-5-18(13-30-19)25(27,28)29/h4-7,12-14,16H,3,8-11,15H2,1-2H3,(H,31,32)
InChIKeyOATKAXPSFDRTMW-UHFFFAOYSA-N
MW477.50 g/mol
LogP6.85
Rot. Bonds7

About 2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine

2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine (PubChem CID 162612684) has the molecular formula C25H27F4N3O2 and a molecular weight of 477.50 g/mol. Its IUPAC name is 2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
PubChem CID162612684
Molecular FormulaC25H27F4N3O2
Molecular Weight477.50 g/mol
Exact Mass477.20
IUPAC Name2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCCC1(F)CCC(c2ncc(-c3ccc(OCc4ccc(C(F)(F)F)cn4)c(OC)c3)[nH]2)CC1
InChIInChI=1S/C25H27F4N3O2/c1-3-24(26)10-8-16(9-11-24)23-31-14-20(32-23)17-4-7-21(22(12-17)33-2)34-15-19-6-5-18(13-30-19)25(27,28)29/h4-7,12-14,16H,3,8-11,15H2,1-2H3,(H,31,32)
InChIKeyOATKAXPSFDRTMW-UHFFFAOYSA-N
XLogP6.85
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.50
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine (CID 162612684) is 2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine is CCC1(F)CCC(c2ncc(-c3ccc(OCc4ccc(C(F)(F)F)cn4)c(OC)c3)[nH]2)CC1.
What is the InChIKey of 2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is OATKAXPSFDRTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N3O2/c1-3-24(26)10-8-16(9-11-24)23-31-14-20(32-23)17-4-7-21(22(12-17)33-2)34-15-19-6-5-18(13-30-19)25(27,28)29/h4-7,12-14,16H,3,8-11,15H2,1-2H3,(H,31,32).
What are the key properties of 2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 477.50 g/mol, XLogP of 6.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 162612684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).