2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine

C24H20F3N3O2 — CID 70667493

IUPAC2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1cnc(-c2ccc(C)cc2)[nH]1
InChIInChI=1S/C24H20F3N3O2/c1-15-3-5-16(6-4-15)23-29-13-21(30-23)20-10-9-19(11-22(20)31-2)32-14-18-8-7-17(12-28-18)24(25,26)27/h3-13H,14H2,1-2H3,(H,29,30)
InChIKeyDYBRHWPLYTZGJF-UHFFFAOYSA-N
MW439.44 g/mol
LogP6.05
Rot. Bonds6

About 2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine

2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine (PubChem CID 70667493) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
PubChem CID70667493
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1cnc(-c2ccc(C)cc2)[nH]1
InChIInChI=1S/C24H20F3N3O2/c1-15-3-5-16(6-4-15)23-29-13-21(30-23)20-10-9-19(11-22(20)31-2)32-14-18-8-7-17(12-28-18)24(25,26)27/h3-13H,14H2,1-2H3,(H,29,30)
InChIKeyDYBRHWPLYTZGJF-UHFFFAOYSA-N
XLogP6.05
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine (CID 70667493) is 2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine is COc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1cnc(-c2ccc(C)cc2)[nH]1.
What is the InChIKey of 2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is DYBRHWPLYTZGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c1-15-3-5-16(6-4-15)23-29-13-21(30-23)20-10-9-19(11-22(20)31-2)32-14-18-8-7-17(12-28-18)24(25,26)27/h3-13H,14H2,1-2H3,(H,29,30).
What are the key properties of 2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine?
2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 439.44 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 70667493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).