3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine

C22H13F6N3 — CID 71570969

IUPAC3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine
SMILESFC(F)(F)c1cc(-c2cncn2-c2cnccc2-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H13F6N3/c23-21(24,25)16-8-15(9-17(10-16)22(26,27)28)19-11-30-13-31(19)20-12-29-7-6-18(20)14-4-2-1-3-5-14/h1-13H
InChIKeyNLRWCYLVYPWHBR-UHFFFAOYSA-N
MW433.36 g/mol
LogP6.64
Rot. Bonds3

About 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine

3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine (PubChem CID 71570969) has the molecular formula C22H13F6N3 and a molecular weight of 433.36 g/mol. Its IUPAC name is 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine.

Molecular Properties

Compound Name3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine
PubChem CID71570969
Molecular FormulaC22H13F6N3
Molecular Weight433.36 g/mol
Exact Mass433.10
IUPAC Name3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine
SMILESFC(F)(F)c1cc(-c2cncn2-c2cnccc2-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H13F6N3/c23-21(24,25)16-8-15(9-17(10-16)22(26,27)28)19-11-30-13-31(19)20-12-29-7-6-18(20)14-4-2-1-3-5-14/h1-13H
InChIKeyNLRWCYLVYPWHBR-UHFFFAOYSA-N
XLogP6.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.36
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine?
The IUPAC name of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine (CID 71570969) is 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine.
What is the SMILES notation for 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine?
The canonical SMILES for 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine is FC(F)(F)c1cc(-c2cncn2-c2cnccc2-c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine?
The InChIKey is NLRWCYLVYPWHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F6N3/c23-21(24,25)16-8-15(9-17(10-16)22(26,27)28)19-11-30-13-31(19)20-12-29-7-6-18(20)14-4-2-1-3-5-14/h1-13H.
What are the key properties of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine?
3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine has a molecular weight of 433.36 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-phenylpyridine is sourced from PubChem (CID 71570969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).