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

C21H19ClF3N3O2 — CID 129304519

IUPAC2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1cc(-c2nc(C3CCC3)[nH]c2Cl)ccc1OCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H19ClF3N3O2/c1-29-17-9-13(18-19(22)28-20(27-18)12-3-2-4-12)5-8-16(17)30-11-15-7-6-14(10-26-15)21(23,24)25/h5-10,12H,2-4,11H2,1H3,(H,27,28)
InChIKeyGKKMUBZXBIQBTK-UHFFFAOYSA-N
MW437.85 g/mol
LogP6.00
Rot. Bonds6

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

2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine (PubChem CID 129304519) has the molecular formula C21H19ClF3N3O2 and a molecular weight of 437.85 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
PubChem CID129304519
Molecular FormulaC21H19ClF3N3O2
Molecular Weight437.85 g/mol
Exact Mass437.11
IUPAC Name2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1cc(-c2nc(C3CCC3)[nH]c2Cl)ccc1OCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H19ClF3N3O2/c1-29-17-9-13(18-19(22)28-20(27-18)12-3-2-4-12)5-8-16(17)30-11-15-7-6-14(10-26-15)21(23,24)25/h5-10,12H,2-4,11H2,1H3,(H,27,28)
InChIKeyGKKMUBZXBIQBTK-UHFFFAOYSA-N
XLogP6.00
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.85
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 146407301
2-[[4-[5-chloro-2-(4,4-difluorocyclohexyl)-1H-imidazol-4-yl]-2,3-dimethoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 129304542
2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 162612684
2-[[2-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 70667462
7-bromo-2-(3,3-difluorocyclohexyl)-6-[3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-4,5-dihydro-3H-azepine
CID 167149012
2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 129304068
2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine
CID 129304167
2-[[4-[2-(3,3-difluorocyclobutyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine
CID 129304080
5-[[4-[5-chloro-2-(3,3-difluorocyclobutyl)-1H-imidazol-4-yl]-2-methylphenoxy]methyl]-2-methylpyridine
CID 161033391
2-[[4-[5-bromo-2-(3,3-difluorocyclobutyl)-1H-imidazol-4-yl]-2-methylphenoxy]methyl]-5-methylpyridine
CID 159863449
2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 70667493
4,5-bis(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 154287281

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine (CID 129304519) is 2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine is COc1cc(-c2nc(C3CCC3)[nH]c2Cl)ccc1OCc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is GKKMUBZXBIQBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O2/c1-29-17-9-13(18-19(22)28-20(27-18)12-3-2-4-12)5-8-16(17)30-11-15-7-6-14(10-26-15)21(23,24)25/h5-10,12H,2-4,11H2,1H3,(H,27,28).
What are the key properties of 2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 437.85 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-2-cyclobutyl-1H-imidazol-4-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 129304519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).