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

C31H28FN5O2 — CID 15872390

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(OCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C31H28FN5O2/c32-24-8-6-23(7-9-24)29-30(37(21-35-29)25-14-17-33-18-15-25)28-16-19-34-31(36-28)39-27-12-10-26(11-13-27)38-20-22-4-2-1-3-5-22/h1-13,16,19,21,25,33H,14-15,17-18,20H2
InChIKeyVPSFNIDXLTWLCB-UHFFFAOYSA-N
MW521.60 g/mol
LogP6.44
Rot. Bonds8

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

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine (PubChem CID 15872390) has the molecular formula C31H28FN5O2 and a molecular weight of 521.60 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine
PubChem CID15872390
Molecular FormulaC31H28FN5O2
Molecular Weight521.60 g/mol
Exact Mass521.22
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(OCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C31H28FN5O2/c32-24-8-6-23(7-9-24)29-30(37(21-35-29)25-14-17-33-18-15-25)28-16-19-34-31(36-28)39-27-12-10-26(11-13-27)38-20-22-4-2-1-3-5-22/h1-13,16,19,21,25,33H,14-15,17-18,20H2
InChIKeyVPSFNIDXLTWLCB-UHFFFAOYSA-N
XLogP6.44
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.60
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine (CID 15872390) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine is Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(OCc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine?
The InChIKey is VPSFNIDXLTWLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN5O2/c32-24-8-6-23(7-9-24)29-30(37(21-35-29)25-14-17-33-18-15-25)28-16-19-34-31(36-28)39-27-12-10-26(11-13-27)38-20-22-4-2-1-3-5-22/h1-13,16,19,21,25,33H,14-15,17-18,20H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine?
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-(4-phenylmethoxyphenoxy)pyrimidine has a molecular weight of 521.60 g/mol, XLogP of 6.44, 8 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-phenylmethoxyphenoxy)pyrimidine is sourced from PubChem (CID 15872390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).