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

C22H16F4N4O2 — CID 129304135

IUPAC2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine
SMILESCOc1cc(OCc2ccc(C(F)(F)F)nc2)ccc1-c1cnc(-c2ccc(F)nc2)[nH]1
InChIInChI=1S/C22H16F4N4O2/c1-31-18-8-15(32-12-13-2-6-19(27-9-13)22(24,25)26)4-5-16(18)17-11-29-21(30-17)14-3-7-20(23)28-10-14/h2-11H,12H2,1H3,(H,29,30)
InChIKeyMWOAOTDOGLHYOC-UHFFFAOYSA-N
MW444.39 g/mol
LogP5.28
Rot. Bonds6

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

2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine (PubChem CID 129304135) has the molecular formula C22H16F4N4O2 and a molecular weight of 444.39 g/mol. Its IUPAC name is 2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine
PubChem CID129304135
Molecular FormulaC22H16F4N4O2
Molecular Weight444.39 g/mol
Exact Mass444.12
IUPAC Name2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine
SMILESCOc1cc(OCc2ccc(C(F)(F)F)nc2)ccc1-c1cnc(-c2ccc(F)nc2)[nH]1
InChIInChI=1S/C22H16F4N4O2/c1-31-18-8-15(32-12-13-2-6-19(27-9-13)22(24,25)26)4-5-16(18)17-11-29-21(30-17)14-3-7-20(23)28-10-14/h2-11H,12H2,1H3,(H,29,30)
InChIKeyMWOAOTDOGLHYOC-UHFFFAOYSA-N
XLogP5.28
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.39
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine?
The IUPAC name of 2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine (CID 129304135) is 2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine.
What is the SMILES notation for 2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine?
The canonical SMILES for 2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine is COc1cc(OCc2ccc(C(F)(F)F)nc2)ccc1-c1cnc(-c2ccc(F)nc2)[nH]1.
What is the InChIKey of 2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine?
The InChIKey is MWOAOTDOGLHYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O2/c1-31-18-8-15(32-12-13-2-6-19(27-9-13)22(24,25)26)4-5-16(18)17-11-29-21(30-17)14-3-7-20(23)28-10-14/h2-11H,12H2,1H3,(H,29,30).
What are the key properties of 2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine?
2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine has a molecular weight of 444.39 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 129304135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).