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

C24H22FN5O2 — CID 10025752

IUPAC2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol
SMILESOc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C24H22FN5O2/c25-17-7-5-16(6-8-17)22-23(30(15-28-22)18-9-12-26-13-10-18)19-11-14-27-24(29-19)32-21-4-2-1-3-20(21)31/h1-8,11,14-15,18,26,31H,9-10,12-13H2
InChIKeyDCNFVKCZGQMLNO-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.57
Rot. Bonds5

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

2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol (PubChem CID 10025752) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol.

Molecular Properties

Compound Name2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol
PubChem CID10025752
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol
SMILESOc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C24H22FN5O2/c25-17-7-5-16(6-8-17)22-23(30(15-28-22)18-9-12-26-13-10-18)19-11-14-27-24(29-19)32-21-4-2-1-3-20(21)31/h1-8,11,14-15,18,26,31H,9-10,12-13H2
InChIKeyDCNFVKCZGQMLNO-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 2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol?
The IUPAC name of 2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol (CID 10025752) is 2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol.
What is the SMILES notation for 2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol?
The canonical SMILES for 2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol is Oc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1.
What is the InChIKey of 2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol?
The InChIKey is DCNFVKCZGQMLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-17-7-5-16(6-8-17)22-23(30(15-28-22)18-9-12-26-13-10-18)19-11-14-27-24(29-19)32-21-4-2-1-3-20(21)31/h1-8,11,14-15,18,26,31H,9-10,12-13H2.
What are the key properties of 2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol?
2-[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 2-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenol is sourced from PubChem (CID 10025752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).