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

C25H23FN6O2 — CID 15887024

IUPAC3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide
SMILESNC(=O)c1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1
InChIInChI=1S/C25H23FN6O2/c26-18-6-4-16(5-7-18)22-23(32(15-30-22)19-8-11-28-12-9-19)21-10-13-29-25(31-21)34-20-3-1-2-17(14-20)24(27)33/h1-7,10,13-15,19,28H,8-9,11-12H2,(H2,27,33)
InChIKeyQNTDXCLSNFTGEE-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.96
Rot. Bonds6

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

3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide (PubChem CID 15887024) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide.

Molecular Properties

Compound Name3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide
PubChem CID15887024
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide
SMILESNC(=O)c1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1
InChIInChI=1S/C25H23FN6O2/c26-18-6-4-16(5-7-18)22-23(32(15-30-22)19-8-11-28-12-9-19)21-10-13-29-25(31-21)34-20-3-1-2-17(14-20)24(27)33/h1-7,10,13-15,19,28H,8-9,11-12H2,(H2,27,33)
InChIKeyQNTDXCLSNFTGEE-UHFFFAOYSA-N
XLogP3.96
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide 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 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide?
The IUPAC name of 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide (CID 15887024) is 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide.
What is the SMILES notation for 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide?
The canonical SMILES for 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide is NC(=O)c1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1.
What is the InChIKey of 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide?
The InChIKey is QNTDXCLSNFTGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c26-18-6-4-16(5-7-18)22-23(32(15-30-22)19-8-11-28-12-9-19)21-10-13-29-25(31-21)34-20-3-1-2-17(14-20)24(27)33/h1-7,10,13-15,19,28H,8-9,11-12H2,(H2,27,33).
What are the key properties of 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide?
3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide has a molecular weight of 458.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzamide is sourced from PubChem (CID 15887024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).