1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine

C29H30F2N4 — CID 15067827

IUPAC1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
SMILESCc1ccc(-c2nc(CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c(C)[nH]2)cc1
InChIInChI=1S/C29H30F2N4/c1-20-3-5-24(6-4-20)29-32-21(2)27(33-29)19-34-15-17-35(18-16-34)28(22-7-11-25(30)12-8-22)23-9-13-26(31)14-10-23/h3-14,28H,15-19H2,1-2H3,(H,32,33)
InChIKeyUTAPECZVVFKYMR-UHFFFAOYSA-N
MW472.58 g/mol
LogP5.88
Rot. Bonds6

About 1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine

1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine (PubChem CID 15067827) has the molecular formula C29H30F2N4 and a molecular weight of 472.58 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
PubChem CID15067827
Molecular FormulaC29H30F2N4
Molecular Weight472.58 g/mol
Exact Mass472.24
IUPAC Name1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine
SMILESCc1ccc(-c2nc(CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c(C)[nH]2)cc1
InChIInChI=1S/C29H30F2N4/c1-20-3-5-24(6-4-20)29-32-21(2)27(33-29)19-34-15-17-35(18-16-34)28(22-7-11-25(30)12-8-22)23-9-13-26(31)14-10-23/h3-14,28H,15-19H2,1-2H3,(H,32,33)
InChIKeyUTAPECZVVFKYMR-UHFFFAOYSA-N
XLogP5.88
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.58
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine (CID 15067827) is 1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine is Cc1ccc(-c2nc(CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c(C)[nH]2)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine?
The InChIKey is UTAPECZVVFKYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N4/c1-20-3-5-24(6-4-20)29-32-21(2)27(33-29)19-34-15-17-35(18-16-34)28(22-7-11-25(30)12-8-22)23-9-13-26(31)14-10-23/h3-14,28H,15-19H2,1-2H3,(H,32,33).
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine?
1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine has a molecular weight of 472.58 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-4-[[5-methyl-2-(4-methylphenyl)-1H-imidazol-4-yl]methyl]piperazine is sourced from PubChem (CID 15067827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).