2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine

C23H19F3N4O2 — CID 146407231

IUPAC2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1cnc(-c2ccc(C)nc2)[nH]1
InChIInChI=1S/C23H19F3N4O2/c1-14-3-4-15(10-27-14)22-29-12-20(30-22)19-8-7-18(9-21(19)31-2)32-13-17-6-5-16(11-28-17)23(24,25)26/h3-12H,13H2,1-2H3,(H,29,30)
InChIKeyNVPROIZRDOBHGR-UHFFFAOYSA-N
MW440.43 g/mol
LogP5.45
Rot. Bonds6

About 2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine

2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine (PubChem CID 146407231) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
PubChem CID146407231
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1cnc(-c2ccc(C)nc2)[nH]1
InChIInChI=1S/C23H19F3N4O2/c1-14-3-4-15(10-27-14)22-29-12-20(30-22)19-8-7-18(9-21(19)31-2)32-13-17-6-5-16(11-28-17)23(24,25)26/h3-12H,13H2,1-2H3,(H,29,30)
InChIKeyNVPROIZRDOBHGR-UHFFFAOYSA-N
XLogP5.45
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 70667493
5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one
CID 146407351
5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 88881339
2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine
CID 129304112
5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 58510131
2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine
CID 148816852
2-[[2-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 70667462
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 2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine (CID 146407231) is 2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine is COc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1cnc(-c2ccc(C)nc2)[nH]1.
What is the InChIKey of 2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is NVPROIZRDOBHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-14-3-4-15(10-27-14)22-29-12-20(30-22)19-8-7-18(9-21(19)31-2)32-13-17-6-5-16(11-28-17)23(24,25)26/h3-12H,13H2,1-2H3,(H,29,30).
What are the key properties of 2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine?
2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 440.43 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 146407231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).