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

C26H21F6N5 — CID 11548081

IUPAC1-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cccc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccccc2)c1
InChIInChI=1S/C26H21F6N5/c27-25(28,29)19-9-4-8-18(16-19)22-21(17-6-2-1-3-7-17)34-24(35-22)37-14-12-36(13-15-37)23-20(26(30,31)32)10-5-11-33-23/h1-11,16H,12-15H2,(H,34,35)
InChIKeyNOHGGUSYSFRMJV-UHFFFAOYSA-N
MW517.48 g/mol
LogP6.50
Rot. Bonds4

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

1-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 11548081) has the molecular formula C26H21F6N5 and a molecular weight of 517.48 g/mol. Its IUPAC name is 1-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID11548081
Molecular FormulaC26H21F6N5
Molecular Weight517.48 g/mol
Exact Mass517.17
IUPAC Name1-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cccc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccccc2)c1
InChIInChI=1S/C26H21F6N5/c27-25(28,29)19-9-4-8-18(16-19)22-21(17-6-2-1-3-7-17)34-24(35-22)37-14-12-36(13-15-37)23-20(26(30,31)32)10-5-11-33-23/h1-11,16H,12-15H2,(H,34,35)
InChIKeyNOHGGUSYSFRMJV-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-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 11548081) is 1-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1cccc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccccc2)c1.
What is the InChIKey of 1-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is NOHGGUSYSFRMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F6N5/c27-25(28,29)19-9-4-8-18(16-19)22-21(17-6-2-1-3-7-17)34-24(35-22)37-14-12-36(13-15-37)23-20(26(30,31)32)10-5-11-33-23/h1-11,16H,12-15H2,(H,34,35).
What are the key properties of 1-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[5-phenyl-4-[3-(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-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 11548081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).