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

C25H21FN6O — CID 15872391

IUPAC4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1
InChIInChI=1S/C25H21FN6O/c26-19-5-3-18(4-6-19)23-24(32(16-30-23)20-9-12-28-13-10-20)22-11-14-29-25(31-22)33-21-7-1-17(15-27)2-8-21/h1-8,11,14,16,20,28H,9-10,12-13H2
InChIKeyJQHSODWZKVGCLV-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.73
Rot. Bonds5

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

4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile (PubChem CID 15872391) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile
PubChem CID15872391
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC Name4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1
InChIInChI=1S/C25H21FN6O/c26-19-5-3-18(4-6-19)23-24(32(16-30-23)20-9-12-28-13-10-20)22-11-14-29-25(31-22)33-21-7-1-17(15-27)2-8-21/h1-8,11,14,16,20,28H,9-10,12-13H2
InChIKeyJQHSODWZKVGCLV-UHFFFAOYSA-N
XLogP4.73
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile?
The IUPAC name of 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile (CID 15872391) is 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile.
What is the SMILES notation for 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile?
The canonical SMILES for 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile is N#Cc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1.
What is the InChIKey of 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile?
The InChIKey is JQHSODWZKVGCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O/c26-19-5-3-18(4-6-19)23-24(32(16-30-23)20-9-12-28-13-10-20)22-11-14-29-25(31-22)33-21-7-1-17(15-27)2-8-21/h1-8,11,14,16,20,28H,9-10,12-13H2.
What are the key properties of 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile?
4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile has a molecular weight of 440.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxybenzonitrile is sourced from PubChem (CID 15872391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).