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

C24H22FN5O2 — CID 15872401

IUPAC3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol
SMILESOc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1
InChIInChI=1S/C24H22FN5O2/c25-17-6-4-16(5-7-17)22-23(30(15-28-22)18-8-11-26-12-9-18)21-10-13-27-24(29-21)32-20-3-1-2-19(31)14-20/h1-7,10,13-15,18,26,31H,8-9,11-12H2
InChIKeyURDPGLQTEQTXTL-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.57
Rot. Bonds5

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

3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol (PubChem CID 15872401) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol.

Molecular Properties

Compound Name3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol
PubChem CID15872401
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol
SMILESOc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1
InChIInChI=1S/C24H22FN5O2/c25-17-6-4-16(5-7-17)22-23(30(15-28-22)18-8-11-26-12-9-18)21-10-13-27-24(29-21)32-20-3-1-2-19(31)14-20/h1-7,10,13-15,18,26,31H,8-9,11-12H2
InChIKeyURDPGLQTEQTXTL-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 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol?
The IUPAC name of 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol (CID 15872401) is 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol.
What is the SMILES notation for 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol?
The canonical SMILES for 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol is Oc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1.
What is the InChIKey of 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol?
The InChIKey is URDPGLQTEQTXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-17-6-4-16(5-7-17)22-23(30(15-28-22)18-8-11-26-12-9-18)21-10-13-27-24(29-21)32-20-3-1-2-19(31)14-20/h1-7,10,13-15,18,26,31H,8-9,11-12H2.
What are the key properties of 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol?
3-[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 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol is sourced from PubChem (CID 15872401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).