2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C25H23FN6O — CID 71585613

IUPAC2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1cc(-c2ccc(F)cc2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C25H23FN6O/c26-21-9-7-19(8-10-21)22-17-32(24(29-22)20-5-2-1-3-6-20)18-23(33)30-13-15-31(16-14-30)25-27-11-4-12-28-25/h1-12,17H,13-16,18H2
InChIKeyXKVCHZUUVZBEPR-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.49
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71585613) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID71585613
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1cc(-c2ccc(F)cc2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C25H23FN6O/c26-21-9-7-19(8-10-21)22-17-32(24(29-22)20-5-2-1-3-6-20)18-23(33)30-13-15-31(16-14-30)25-27-11-4-12-28-25/h1-12,17H,13-16,18H2
InChIKeyXKVCHZUUVZBEPR-UHFFFAOYSA-N
XLogP3.49
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 71585613) is 2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(Cn1cc(-c2ccc(F)cc2)nc1-c1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is XKVCHZUUVZBEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c26-21-9-7-19(8-10-21)22-17-32(24(29-22)20-5-2-1-3-6-20)18-23(33)30-13-15-31(16-14-30)25-27-11-4-12-28-25/h1-12,17H,13-16,18H2.
What are the key properties of 2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 442.50 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71585613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).