2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine

C24H20F3N3O — CID 44546314

IUPAC2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine
SMILESCOc1ccc(-c2nc(Cc3cccc(C(F)(F)F)c3)[nH]c2-c2cccc(C)n2)cc1
InChIInChI=1S/C24H20F3N3O/c1-15-5-3-8-20(28-15)23-22(17-9-11-19(31-2)12-10-17)29-21(30-23)14-16-6-4-7-18(13-16)24(25,26)27/h3-13H,14H2,1-2H3,(H,29,30)
InChIKeyNACGIDYYBYNXSR-UHFFFAOYSA-N
MW423.44 g/mol
LogP6.07
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine

2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine (PubChem CID 44546314) has the molecular formula C24H20F3N3O and a molecular weight of 423.44 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine
PubChem CID44546314
Molecular FormulaC24H20F3N3O
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine
SMILESCOc1ccc(-c2nc(Cc3cccc(C(F)(F)F)c3)[nH]c2-c2cccc(C)n2)cc1
InChIInChI=1S/C24H20F3N3O/c1-15-5-3-8-20(28-15)23-22(17-9-11-19(31-2)12-10-17)29-21(30-23)14-16-6-4-7-18(13-16)24(25,26)27/h3-13H,14H2,1-2H3,(H,29,30)
InChIKeyNACGIDYYBYNXSR-UHFFFAOYSA-N
XLogP6.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine?
The IUPAC name of 2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine (CID 44546314) is 2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine is COc1ccc(-c2nc(Cc3cccc(C(F)(F)F)c3)[nH]c2-c2cccc(C)n2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine?
The InChIKey is NACGIDYYBYNXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O/c1-15-5-3-8-20(28-15)23-22(17-9-11-19(31-2)12-10-17)29-21(30-23)14-16-6-4-7-18(13-16)24(25,26)27/h3-13H,14H2,1-2H3,(H,29,30).
What are the key properties of 2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine?
2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine has a molecular weight of 423.44 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-5-yl]-6-methylpyridine is sourced from PubChem (CID 44546314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).