4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol

C24H22FN5O2 — CID 15872392

IUPAC4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol
SMILESOc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1
InChIInChI=1S/C24H22FN5O2/c25-17-3-1-16(2-4-17)22-23(30(15-28-22)18-9-12-26-13-10-18)21-11-14-27-24(29-21)32-20-7-5-19(31)6-8-20/h1-8,11,14-15,18,26,31H,9-10,12-13H2
InChIKeyGXLHMZKUDLOKOT-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.57
Rot. Bonds5

About 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol

4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol (PubChem CID 15872392) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol.

Molecular Properties

Compound Name4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol
PubChem CID15872392
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol
SMILESOc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1
InChIInChI=1S/C24H22FN5O2/c25-17-3-1-16(2-4-17)22-23(30(15-28-22)18-9-12-26-13-10-18)21-11-14-27-24(29-21)32-20-7-5-19(31)6-8-20/h1-8,11,14-15,18,26,31H,9-10,12-13H2
InChIKeyGXLHMZKUDLOKOT-UHFFFAOYSA-N
XLogP4.57
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol?
The IUPAC name of 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol (CID 15872392) is 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol.
What is the SMILES notation for 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol?
The canonical SMILES for 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol is Oc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1.
What is the InChIKey of 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol?
The InChIKey is GXLHMZKUDLOKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-17-3-1-16(2-4-17)22-23(30(15-28-22)18-9-12-26-13-10-18)21-11-14-27-24(29-21)32-20-7-5-19(31)6-8-20/h1-8,11,14-15,18,26,31H,9-10,12-13H2.
What are the key properties of 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol?
4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol has a molecular weight of 431.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol is sourced from PubChem (CID 15872392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).