3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine

C22H11F8N3 — CID 71569930

IUPAC3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine
SMILESFc1ccc(-c2ccncc2-n2cncc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C22H11F8N3/c23-15-1-2-16(18(24)8-15)17-3-4-31-10-20(17)33-11-32-9-19(33)12-5-13(21(25,26)27)7-14(6-12)22(28,29)30/h1-11H
InChIKeyODWGXVJTYFMOGG-UHFFFAOYSA-N
MW469.34 g/mol
LogP6.92
Rot. Bonds3

About 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine

3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine (PubChem CID 71569930) has the molecular formula C22H11F8N3 and a molecular weight of 469.34 g/mol. Its IUPAC name is 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine.

Molecular Properties

Compound Name3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine
PubChem CID71569930
Molecular FormulaC22H11F8N3
Molecular Weight469.34 g/mol
Exact Mass469.08
IUPAC Name3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine
SMILESFc1ccc(-c2ccncc2-n2cncc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C22H11F8N3/c23-15-1-2-16(18(24)8-15)17-3-4-31-10-20(17)33-11-32-9-19(33)12-5-13(21(25,26)27)7-14(6-12)22(28,29)30/h1-11H
InChIKeyODWGXVJTYFMOGG-UHFFFAOYSA-N
XLogP6.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.34
LogP ≤ 56.92
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-(2,4-difluorophenyl)pyridine?
The IUPAC name of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine (CID 71569930) is 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine.
What is the SMILES notation for 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine?
The canonical SMILES for 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine is Fc1ccc(-c2ccncc2-n2cncc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine?
The InChIKey is ODWGXVJTYFMOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F8N3/c23-15-1-2-16(18(24)8-15)17-3-4-31-10-20(17)33-11-32-9-19(33)12-5-13(21(25,26)27)7-14(6-12)22(28,29)30/h1-11H.
What are the key properties of 3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine?
3-[5-[3,5-bis(trifluoromethyl)phenyl]imidazol-1-yl]-4-(2,4-difluorophenyl)pyridine has a molecular weight of 469.34 g/mol, XLogP of 6.92, 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-(2,4-difluorophenyl)pyridine is sourced from PubChem (CID 71569930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).