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

C22H22F3N3O2 — CID 146407301

IUPAC2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1OCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H22F3N3O2/c1-29-20-10-15(18-12-27-21(28-18)14-4-2-3-5-14)6-9-19(20)30-13-17-8-7-16(11-26-17)22(23,24)25/h6-12,14H,2-5,13H2,1H3,(H,27,28)
InChIKeyNSCGUIIYOUHJFL-UHFFFAOYSA-N
MW417.43 g/mol
LogP5.74
Rot. Bonds6

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

2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine (PubChem CID 146407301) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
PubChem CID146407301
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1OCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C22H22F3N3O2/c1-29-20-10-15(18-12-27-21(28-18)14-4-2-3-5-14)6-9-19(20)30-13-17-8-7-16(11-26-17)22(23,24)25/h6-12,14H,2-5,13H2,1H3,(H,27,28)
InChIKeyNSCGUIIYOUHJFL-UHFFFAOYSA-N
XLogP5.74
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.43
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine (CID 146407301) is 2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine is COc1cc(-c2cnc(C3CCCC3)[nH]2)ccc1OCc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is NSCGUIIYOUHJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-29-20-10-15(18-12-27-21(28-18)14-4-2-3-5-14)6-9-19(20)30-13-17-8-7-16(11-26-17)22(23,24)25/h6-12,14H,2-5,13H2,1H3,(H,27,28).
What are the key properties of 2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 417.43 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 146407301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).