4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

C20H12F3N3 — CID 91691129

IUPAC4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(-c3c(F)cccc3F)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C20H12F3N3/c21-14-6-4-12(5-7-14)18-19(13-8-10-24-11-9-13)26-20(25-18)17-15(22)2-1-3-16(17)23/h1-11H,(H,25,26)
InChIKeyTWPJJJZCYVFUOA-UHFFFAOYSA-N
MW351.33 g/mol
LogP5.22
Rot. Bonds3

About 4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine

4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 91691129) has the molecular formula C20H12F3N3 and a molecular weight of 351.33 g/mol. Its IUPAC name is 4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
PubChem CID91691129
Molecular FormulaC20H12F3N3
Molecular Weight351.33 g/mol
Exact Mass351.10
IUPAC Name4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(-c3c(F)cccc3F)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C20H12F3N3/c21-14-6-4-12(5-7-14)18-19(13-8-10-24-11-9-13)26-20(25-18)17-15(22)2-1-3-16(17)23/h1-11H,(H,25,26)
InChIKeyTWPJJJZCYVFUOA-UHFFFAOYSA-N
XLogP5.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.33
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (CID 91691129) is 4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is Fc1ccc(-c2nc(-c3c(F)cccc3F)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is TWPJJJZCYVFUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3/c21-14-6-4-12(5-7-14)18-19(13-8-10-24-11-9-13)26-20(25-18)17-15(22)2-1-3-16(17)23/h1-11H,(H,25,26).
What are the key properties of 4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 351.33 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 91691129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).