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

C24H21F2N5O — CID 15872405

IUPAC2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccccc3F)n2)cc1
InChIInChI=1S/C24H21F2N5O/c25-17-7-5-16(6-8-17)22-23(31(15-29-22)18-9-12-27-13-10-18)20-11-14-28-24(30-20)32-21-4-2-1-3-19(21)26/h1-8,11,14-15,18,27H,9-10,12-13H2
InChIKeyDTSCAJVWSSGYIS-UHFFFAOYSA-N
MW433.46 g/mol
LogP5.00
Rot. Bonds5

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

2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine (PubChem CID 15872405) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
PubChem CID15872405
Molecular FormulaC24H21F2N5O
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC Name2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccccc3F)n2)cc1
InChIInChI=1S/C24H21F2N5O/c25-17-7-5-16(6-8-17)22-23(31(15-29-22)18-9-12-27-13-10-18)20-11-14-28-24(30-20)32-21-4-2-1-3-19(21)26/h1-8,11,14-15,18,27H,9-10,12-13H2
InChIKeyDTSCAJVWSSGYIS-UHFFFAOYSA-N
XLogP5.00
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]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 2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The IUPAC name of 2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine (CID 15872405) is 2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine.
What is the SMILES notation for 2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The canonical SMILES for 2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine is Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccccc3F)n2)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The InChIKey is DTSCAJVWSSGYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O/c25-17-7-5-16(6-8-17)22-23(31(15-29-22)18-9-12-27-13-10-18)20-11-14-28-24(30-20)32-21-4-2-1-3-19(21)26/h1-8,11,14-15,18,27H,9-10,12-13H2.
What are the key properties of 2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine has a molecular weight of 433.46 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine is sourced from PubChem (CID 15872405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).