4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine

C21H16FN3 — CID 10246001

IUPAC4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine
SMILESCc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H16FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h2-13H,1H3,(H,24,25)
InChIKeyWBTZEYLGSORECL-UHFFFAOYSA-N
MW329.38 g/mol
LogP5.25
Rot. Bonds3

About 4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine

4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 10246001) has the molecular formula C21H16FN3 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine
PubChem CID10246001
Molecular FormulaC21H16FN3
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC Name4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine
SMILESCc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C21H16FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h2-13H,1H3,(H,24,25)
InChIKeyWBTZEYLGSORECL-UHFFFAOYSA-N
XLogP5.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.38
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine (CID 10246001) is 4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine is Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is WBTZEYLGSORECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3/c1-14-2-4-17(5-3-14)21-24-19(15-6-8-18(22)9-7-15)20(25-21)16-10-12-23-13-11-16/h2-13H,1H3,(H,24,25).
What are the key properties of 4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine?
4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 329.38 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-(4-methylphenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10246001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).