2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine

C20H17F4N3O — CID 145339728

IUPAC2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine
SMILESCc1cc(-c2cnc(C3CC3)[nH]2)ccc1OCc1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C20H17F4N3O/c1-11-6-13(16-9-26-19(27-16)12-2-3-12)4-5-18(11)28-10-17-15(21)7-14(8-25-17)20(22,23)24/h4-9,12H,2-3,10H2,1H3,(H,26,27)
InChIKeyAELPAENQXMBNTP-UHFFFAOYSA-N
MW391.37 g/mol
LogP5.39
Rot. Bonds5

About 2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine

2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine (PubChem CID 145339728) has the molecular formula C20H17F4N3O and a molecular weight of 391.37 g/mol. Its IUPAC name is 2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine
PubChem CID145339728
Molecular FormulaC20H17F4N3O
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC Name2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine
SMILESCc1cc(-c2cnc(C3CC3)[nH]2)ccc1OCc1ncc(C(F)(F)F)cc1F
InChIInChI=1S/C20H17F4N3O/c1-11-6-13(16-9-26-19(27-16)12-2-3-12)4-5-18(11)28-10-17-15(21)7-14(8-25-17)20(22,23)24/h4-9,12H,2-3,10H2,1H3,(H,26,27)
InChIKeyAELPAENQXMBNTP-UHFFFAOYSA-N
XLogP5.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.37
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-[[4-[2-(3,3-difluorocyclobutyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine
CID 129304080
2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 146407301
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine
CID 95474427
2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 162612684
3-fluoro-2-[[4-[2-(6-fluoro-2,3-dihydropyridin-3-yl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 129304579
2-cyclopropyl-5-(4-fluorophenyl)-1H-imidazole
CID 90241425
4-[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 66649801
4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine;dihydrochloride
CID 71742558
1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone
CID 21027535
5-(2-cyclopropyl-1H-imidazol-5-yl)-3-methylpyridin-2-amine
CID 142298664
N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
CID 10194221
4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-ol
CID 116881267

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine (CID 145339728) is 2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine is Cc1cc(-c2cnc(C3CC3)[nH]2)ccc1OCc1ncc(C(F)(F)F)cc1F.
What is the InChIKey of 2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine?
The InChIKey is AELPAENQXMBNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O/c1-11-6-13(16-9-26-19(27-16)12-2-3-12)4-5-18(11)28-10-17-15(21)7-14(8-25-17)20(22,23)24/h4-9,12H,2-3,10H2,1H3,(H,26,27).
What are the key properties of 2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine?
2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine has a molecular weight of 391.37 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 145339728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).