2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine

C22H15ClF4N4O2 — CID 129304068

IUPAC2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1nc(-c2ccc(F)cn2)[nH]c1Cl
InChIInChI=1S/C22H15ClF4N4O2/c1-32-18-8-15(33-11-14-4-2-12(9-28-14)22(25,26)27)5-6-16(18)19-20(23)31-21(30-19)17-7-3-13(24)10-29-17/h2-10H,11H2,1H3,(H,30,31)
InChIKeyBDSFABYOMIBQQY-UHFFFAOYSA-N
MW478.83 g/mol
LogP5.93
Rot. Bonds6

About 2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine

2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine (PubChem CID 129304068) has the molecular formula C22H15ClF4N4O2 and a molecular weight of 478.83 g/mol. Its IUPAC name is 2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
PubChem CID129304068
Molecular FormulaC22H15ClF4N4O2
Molecular Weight478.83 g/mol
Exact Mass478.08
IUPAC Name2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1nc(-c2ccc(F)cn2)[nH]c1Cl
InChIInChI=1S/C22H15ClF4N4O2/c1-32-18-8-15(33-11-14-4-2-12(9-28-14)22(25,26)27)5-6-16(18)19-20(23)31-21(30-19)17-7-3-13(24)10-29-17/h2-10H,11H2,1H3,(H,30,31)
InChIKeyBDSFABYOMIBQQY-UHFFFAOYSA-N
XLogP5.93
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.83
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine
CID 129304580
2-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-6-(trifluoromethyl)pyridine
CID 135373585
2-chloro-5-[5-chloro-4-[2-methoxy-4-[[5-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine
CID 146407416
2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 70667493
5-[5-chloro-4-[2-methoxy-4-[(1S)-1-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]-1H-imidazol-2-yl]-2-fluoropyridine
CID 146407334
2-[[3-methoxy-4-[2-(6-methyl-3-pyridinyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 146407231
4-[[4-[5-chloro-2-(6-fluoro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-(trifluoromethyl)pyridine
CID 129304156
2-chloro-5-[5-chloro-4-[2-methoxy-4-[[3-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine
CID 129304395
5-[5-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]-1H-pyridin-2-one
CID 146407351
2-chloro-5-[5-chloro-1-(cyclopropylmethyl)-4-[2-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]imidazol-2-yl]pyridine
CID 129304167
2-[[4-[5-chloro-2-(6-chloro-3-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-3-fluoro-5-methylpyridine
CID 158864061
2-[[4-[5-chloro-2-(4,4-difluorocyclohexyl)-1H-imidazol-4-yl]-2,3-dimethoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 129304542

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine (CID 129304068) is 2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine is COc1cc(OCc2ccc(C(F)(F)F)cn2)ccc1-c1nc(-c2ccc(F)cn2)[nH]c1Cl.
What is the InChIKey of 2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is BDSFABYOMIBQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF4N4O2/c1-32-18-8-15(33-11-14-4-2-12(9-28-14)22(25,26)27)5-6-16(18)19-20(23)31-21(30-19)17-7-3-13(24)10-29-17/h2-10H,11H2,1H3,(H,30,31).
What are the key properties of 2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine?
2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 478.83 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-chloro-2-(5-fluoro-2-pyridinyl)-1H-imidazol-4-yl]-3-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 129304068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).