1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

C26H21F6N5 — CID 11620552

IUPAC1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(-c2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C26H21F6N5/c27-25(28,29)19-10-8-18(9-11-19)22-21(17-5-2-1-3-6-17)34-24(35-22)37-15-13-36(14-16-37)23-20(26(30,31)32)7-4-12-33-23/h1-12H,13-16H2,(H,34,35)
InChIKeyVCVGVKFIQIWAMK-UHFFFAOYSA-N
MW517.48 g/mol
LogP6.50
Rot. Bonds4

About 1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 11620552) has the molecular formula C26H21F6N5 and a molecular weight of 517.48 g/mol. Its IUPAC name is 1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID11620552
Molecular FormulaC26H21F6N5
Molecular Weight517.48 g/mol
Exact Mass517.17
IUPAC Name1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(-c2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C26H21F6N5/c27-25(28,29)19-10-8-18(9-11-19)22-21(17-5-2-1-3-6-17)34-24(35-22)37-15-13-36(14-16-37)23-20(26(30,31)32)7-4-12-33-23/h1-12H,13-16H2,(H,34,35)
InChIKeyVCVGVKFIQIWAMK-UHFFFAOYSA-N
XLogP6.50
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.48
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 11620552) is 1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(-c2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is VCVGVKFIQIWAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F6N5/c27-25(28,29)19-10-8-18(9-11-19)22-21(17-5-2-1-3-6-17)34-24(35-22)37-15-13-36(14-16-37)23-20(26(30,31)32)7-4-12-33-23/h1-12H,13-16H2,(H,34,35).
What are the key properties of 1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 517.48 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 11620552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).