1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine

C26H24F2N4 — CID 10862911

IUPAC1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine
SMILESFc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H24F2N4/c27-21-8-6-20(7-9-21)26-29-23(19-32(26)25-12-10-22(28)11-13-25)18-30-14-16-31(17-15-30)24-4-2-1-3-5-24/h1-13,19H,14-18H2
InChIKeyOCPUMUSLGLBFKT-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.14
Rot. Bonds5

About 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine

1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine (PubChem CID 10862911) has the molecular formula C26H24F2N4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine
PubChem CID10862911
Molecular FormulaC26H24F2N4
Molecular Weight430.50 g/mol
Exact Mass430.20
IUPAC Name1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine
SMILESFc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H24F2N4/c27-21-8-6-20(7-9-21)26-29-23(19-32(26)25-12-10-22(28)11-13-25)18-30-14-16-31(17-15-30)24-4-2-1-3-5-24/h1-13,19H,14-18H2
InChIKeyOCPUMUSLGLBFKT-UHFFFAOYSA-N
XLogP5.14
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine (CID 10862911) is 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine is Fc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine?
The InChIKey is OCPUMUSLGLBFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4/c27-21-8-6-20(7-9-21)26-29-23(19-32(26)25-12-10-22(28)11-13-25)18-30-14-16-31(17-15-30)24-4-2-1-3-5-24/h1-13,19H,14-18H2.
What are the key properties of 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine?
1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine has a molecular weight of 430.50 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1,2-bis(4-fluorophenyl)imidazol-4-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 10862911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).