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

C25H22F2N4O — CID 69102822

IUPAC2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine
SMILESFc1ccc(Oc2cc(-c3nc(C4CCNCC4)[nH]c3-c3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C25H22F2N4O/c26-19-3-1-16(2-4-19)23-24(31-25(30-23)17-9-12-28-13-10-17)18-11-14-29-22(15-18)32-21-7-5-20(27)6-8-21/h1-8,11,14-15,17,28H,9-10,12-13H2,(H,30,31)
InChIKeySCXCOIJAQFVKBB-UHFFFAOYSA-N
MW432.47 g/mol
LogP5.68
Rot. Bonds5

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

2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine (PubChem CID 69102822) has the molecular formula C25H22F2N4O and a molecular weight of 432.47 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine
PubChem CID69102822
Molecular FormulaC25H22F2N4O
Molecular Weight432.47 g/mol
Exact Mass432.18
IUPAC Name2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine
SMILESFc1ccc(Oc2cc(-c3nc(C4CCNCC4)[nH]c3-c3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C25H22F2N4O/c26-19-3-1-16(2-4-19)23-24(31-25(30-23)17-9-12-28-13-10-17)18-11-14-29-22(15-18)32-21-7-5-20(27)6-8-21/h1-8,11,14-15,17,28H,9-10,12-13H2,(H,30,31)
InChIKeySCXCOIJAQFVKBB-UHFFFAOYSA-N
XLogP5.68
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.47
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine?
The IUPAC name of 2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine (CID 69102822) is 2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine.
What is the SMILES notation for 2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine?
The canonical SMILES for 2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine is Fc1ccc(Oc2cc(-c3nc(C4CCNCC4)[nH]c3-c3ccc(F)cc3)ccn2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine?
The InChIKey is SCXCOIJAQFVKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O/c26-19-3-1-16(2-4-19)23-24(31-25(30-23)17-9-12-28-13-10-17)18-11-14-29-22(15-18)32-21-7-5-20(27)6-8-21/h1-8,11,14-15,17,28H,9-10,12-13H2,(H,30,31).
What are the key properties of 2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine?
2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine has a molecular weight of 432.47 g/mol, XLogP of 5.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-4-[5-(4-fluorophenyl)-2-piperidin-4-yl-1H-imidazol-4-yl]pyridine is sourced from PubChem (CID 69102822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).