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

C30H26FN5O — CID 15872399

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylphenoxy)pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C30H26FN5O/c31-24-10-6-23(7-11-24)28-29(36(20-34-28)25-14-17-32-18-15-25)27-16-19-33-30(35-27)37-26-12-8-22(9-13-26)21-4-2-1-3-5-21/h1-13,16,19-20,25,32H,14-15,17-18H2
InChIKeyWHARNYOKNQYQGR-UHFFFAOYSA-N
MW491.57 g/mol
LogP6.53
Rot. Bonds6

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

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylphenoxy)pyrimidine (PubChem CID 15872399) has the molecular formula C30H26FN5O and a molecular weight of 491.57 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylphenoxy)pyrimidine
PubChem CID15872399
Molecular FormulaC30H26FN5O
Molecular Weight491.57 g/mol
Exact Mass491.21
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylphenoxy)pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C30H26FN5O/c31-24-10-6-23(7-11-24)28-29(36(20-34-28)25-14-17-32-18-15-25)27-16-19-33-30(35-27)37-26-12-8-22(9-13-26)21-4-2-1-3-5-21/h1-13,16,19-20,25,32H,14-15,17-18H2
InChIKeyWHARNYOKNQYQGR-UHFFFAOYSA-N
XLogP6.53
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.57
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-phenylphenoxy)pyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylphenoxy)pyrimidine (CID 15872399) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylphenoxy)pyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylphenoxy)pyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylphenoxy)pyrimidine is Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylphenoxy)pyrimidine?
The InChIKey is WHARNYOKNQYQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O/c31-24-10-6-23(7-11-24)28-29(36(20-34-28)25-14-17-32-18-15-25)27-16-19-33-30(35-27)37-26-12-8-22(9-13-26)21-4-2-1-3-5-21/h1-13,16,19-20,25,32H,14-15,17-18H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylphenoxy)pyrimidine?
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylphenoxy)pyrimidine has a molecular weight of 491.57 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylphenoxy)pyrimidine is sourced from PubChem (CID 15872399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).