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

C27H20F9N5 — CID 11699875

IUPAC1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C27H20F9N5/c28-25(29,30)18-7-3-16(4-8-18)21-22(17-5-9-19(10-6-17)26(31,32)33)39-24(38-21)41-14-12-40(13-15-41)23-20(27(34,35)36)2-1-11-37-23/h1-11H,12-15H2,(H,38,39)
InChIKeyMWSILSZDKOSYTM-UHFFFAOYSA-N
MW585.47 g/mol
LogP7.52
Rot. Bonds4

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

1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 11699875) has the molecular formula C27H20F9N5 and a molecular weight of 585.47 g/mol. Its IUPAC name is 1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID11699875
Molecular FormulaC27H20F9N5
Molecular Weight585.47 g/mol
Exact Mass585.16
IUPAC Name1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C27H20F9N5/c28-25(29,30)18-7-3-16(4-8-18)21-22(17-5-9-19(10-6-17)26(31,32)33)39-24(38-21)41-14-12-40(13-15-41)23-20(27(34,35)36)2-1-11-37-23/h1-11H,12-15H2,(H,38,39)
InChIKeyMWSILSZDKOSYTM-UHFFFAOYSA-N
XLogP7.52
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.47
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 11699875) is 1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is MWSILSZDKOSYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F9N5/c28-25(29,30)18-7-3-16(4-8-18)21-22(17-5-9-19(10-6-17)26(31,32)33)39-24(38-21)41-14-12-40(13-15-41)23-20(27(34,35)36)2-1-11-37-23/h1-11H,12-15H2,(H,38,39).
What are the key properties of 1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 585.47 g/mol, XLogP of 7.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 11699875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).