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

C20H13F2N3 — CID 91691130

IUPAC4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C20H13F2N3/c21-15-7-5-13(6-8-15)18-19(14-9-11-23-12-10-14)25-20(24-18)16-3-1-2-4-17(16)22/h1-12H,(H,24,25)
InChIKeyQIFJOFNVIVQRNJ-UHFFFAOYSA-N
MW333.34 g/mol
LogP5.08
Rot. Bonds3

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

4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 91691130) has the molecular formula C20H13F2N3 and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
PubChem CID91691130
Molecular FormulaC20H13F2N3
Molecular Weight333.34 g/mol
Exact Mass333.11
IUPAC Name4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
SMILESFc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2ccncc2)cc1
InChIInChI=1S/C20H13F2N3/c21-15-7-5-13(6-8-15)18-19(14-9-11-23-12-10-14)25-20(24-18)16-3-1-2-4-17(16)22/h1-12H,(H,24,25)
InChIKeyQIFJOFNVIVQRNJ-UHFFFAOYSA-N
XLogP5.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.34
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine (CID 91691130) is 4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is Fc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2ccncc2)cc1.
What is the InChIKey of 4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is QIFJOFNVIVQRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3/c21-15-7-5-13(6-8-15)18-19(14-9-11-23-12-10-14)25-20(24-18)16-3-1-2-4-17(16)22/h1-12H,(H,24,25).
What are the key properties of 4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine?
4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 333.34 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 91691130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).