5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one

C22H17F3N4O3 — CID 146407351

IUPAC5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one
SMILESCOc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1cnc(-c2ccc(=O)[nH]c2)[nH]1
InChIInChI=1S/C22H17F3N4O3/c1-31-19-8-16(32-12-15-4-3-14(10-26-15)22(23,24)25)5-6-17(19)18-11-28-21(29-18)13-2-7-20(30)27-9-13/h2-11H,12H2,1H3,(H,27,30)(H,28,29)
InChIKeyKUWWCRSTYFLQJT-UHFFFAOYSA-N
MW442.40 g/mol
LogP4.43
Rot. Bonds6

About 5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one

5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one (PubChem CID 146407351) has the molecular formula C22H17F3N4O3 and a molecular weight of 442.40 g/mol. Its IUPAC name is 5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one
PubChem CID146407351
Molecular FormulaC22H17F3N4O3
Molecular Weight442.40 g/mol
Exact Mass442.13
IUPAC Name5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one
SMILESCOc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1cnc(-c2ccc(=O)[nH]c2)[nH]1
InChIInChI=1S/C22H17F3N4O3/c1-31-19-8-16(32-12-15-4-3-14(10-26-15)22(23,24)25)5-6-17(19)18-11-28-21(29-18)13-2-7-20(30)27-9-13/h2-11H,12H2,1H3,(H,27,30)(H,28,29)
InChIKeyKUWWCRSTYFLQJT-UHFFFAOYSA-N
XLogP4.43
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 70667493
2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 146407231
5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 88881339
5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 58510131
2-[[2-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 70667462
2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine
CID 148816852
2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine
CID 129304112
2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine
CID 129304135
5-(2-methoxy-4-phenylmethoxyphenyl)-2-phenyl-1H-imidazole;hydrochloride
CID 158418618
2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 129304068
2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole
CID 58510130
5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole
CID 58510120

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one (CID 146407351) is 5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one is COc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1cnc(-c2ccc(=O)[nH]c2)[nH]1.
What is the InChIKey of 5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is KUWWCRSTYFLQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3/c1-31-19-8-16(32-12-15-4-3-14(10-26-15)22(23,24)25)5-6-17(19)18-11-28-21(29-18)13-2-7-20(30)27-9-13/h2-11H,12H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one?
5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 442.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 146407351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).