4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine

C30H26FN5O2 — CID 15872400

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C30H26FN5O2/c31-22-8-6-21(7-9-22)28-29(36(20-34-28)23-14-17-32-18-15-23)27-16-19-33-30(35-27)38-26-12-10-25(11-13-26)37-24-4-2-1-3-5-24/h1-13,16,19-20,23,32H,14-15,17-18H2
InChIKeyQESOEGOVASIYOF-UHFFFAOYSA-N
MW507.57 g/mol
LogP6.66
Rot. Bonds7

About 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine (PubChem CID 15872400) has the molecular formula C30H26FN5O2 and a molecular weight of 507.57 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine
PubChem CID15872400
Molecular FormulaC30H26FN5O2
Molecular Weight507.57 g/mol
Exact Mass507.21
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C30H26FN5O2/c31-22-8-6-21(7-9-22)28-29(36(20-34-28)23-14-17-32-18-15-23)27-16-19-33-30(35-27)38-26-12-10-25(11-13-26)37-24-4-2-1-3-5-24/h1-13,16,19-20,23,32H,14-15,17-18H2
InChIKeyQESOEGOVASIYOF-UHFFFAOYSA-N
XLogP6.66
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.57
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine (CID 15872400) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine is Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(Oc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine?
The InChIKey is QESOEGOVASIYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O2/c31-22-8-6-21(7-9-22)28-29(36(20-34-28)23-14-17-32-18-15-23)27-16-19-33-30(35-27)38-26-12-10-25(11-13-26)37-24-4-2-1-3-5-24/h1-13,16,19-20,23,32H,14-15,17-18H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine?
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine has a molecular weight of 507.57 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenoxyphenoxy)pyrimidine is sourced from PubChem (CID 15872400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).