2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine

C22H16F3N3O — CID 141164409

IUPAC2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine
SMILESCOc1ccc(-c2ccc(-n3ccnc3-c3ccccc3C(F)(F)F)cc2)cn1
InChIInChI=1S/C22H16F3N3O/c1-29-20-11-8-16(14-27-20)15-6-9-17(10-7-15)28-13-12-26-21(28)18-4-2-3-5-19(18)22(23,24)25/h2-14H,1H3
InChIKeyNAAGWTFAMZJYPZ-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.63
Rot. Bonds4

About 2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine

2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine (PubChem CID 141164409) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine
PubChem CID141164409
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine
SMILESCOc1ccc(-c2ccc(-n3ccnc3-c3ccccc3C(F)(F)F)cc2)cn1
InChIInChI=1S/C22H16F3N3O/c1-29-20-11-8-16(14-27-20)15-6-9-17(10-7-15)28-13-12-26-21(28)18-4-2-3-5-19(18)22(23,24)25/h2-14H,1H3
InChIKeyNAAGWTFAMZJYPZ-UHFFFAOYSA-N
XLogP5.63
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine?
The IUPAC name of 2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine (CID 141164409) is 2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine.
What is the SMILES notation for 2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine?
The canonical SMILES for 2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine is COc1ccc(-c2ccc(-n3ccnc3-c3ccccc3C(F)(F)F)cc2)cn1.
What is the InChIKey of 2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine?
The InChIKey is NAAGWTFAMZJYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c1-29-20-11-8-16(14-27-20)15-6-9-17(10-7-15)28-13-12-26-21(28)18-4-2-3-5-19(18)22(23,24)25/h2-14H,1H3.
What are the key properties of 2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine?
2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine has a molecular weight of 395.38 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-[2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]pyridine is sourced from PubChem (CID 141164409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).