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

C23H20FN3 — CID 10066912

IUPAC4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine
SMILESCC(C)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C23H20FN3/c1-15(2)16-3-5-19(6-4-16)23-26-21(17-7-9-20(24)10-8-17)22(27-23)18-11-13-25-14-12-18/h3-15H,1-2H3,(H,26,27)
InChIKeyCPLKJAOVKQRYLU-UHFFFAOYSA-N
MW357.43 g/mol
LogP6.07
Rot. Bonds4

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

4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine (PubChem CID 10066912) has the molecular formula C23H20FN3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine
PubChem CID10066912
Molecular FormulaC23H20FN3
Molecular Weight357.43 g/mol
Exact Mass357.16
IUPAC Name4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine
SMILESCC(C)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C23H20FN3/c1-15(2)16-3-5-19(6-4-16)23-26-21(17-7-9-20(24)10-8-17)22(27-23)18-11-13-25-14-12-18/h3-15H,1-2H3,(H,26,27)
InChIKeyCPLKJAOVKQRYLU-UHFFFAOYSA-N
XLogP6.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.43
LogP ≤ 56.07
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-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine (CID 10066912) is 4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine is CC(C)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine?
The InChIKey is CPLKJAOVKQRYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3/c1-15(2)16-3-5-19(6-4-16)23-26-21(17-7-9-20(24)10-8-17)22(27-23)18-11-13-25-14-12-18/h3-15H,1-2H3,(H,26,27).
What are the key properties of 4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine?
4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine has a molecular weight of 357.43 g/mol, XLogP of 6.07, 4 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-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10066912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).