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

C26H18F9N5 — CID 11563206

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

1-[5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 11563206) has the molecular formula C26H18F9N5 and a molecular weight of 571.45 g/mol. Its IUPAC name is 1-[5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

• Compound Name: 1-[5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
• PubChem CID: 11563206
• Molecular Formula: C26H18F9N5
• Molecular Weight: 571.45 g/mol
• Exact Mass: 571.14
• IUPAC Name: 1-[5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
• SMILES: Fc1cc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccc(C(F)(F)F)cc2)cc(F)c1F
• InChI: InChI=1S/C26H18F9N5/c27-18-12-15(13-19(28)20(18)29)22-21(14-3-5-16(6-4-14)25(30,31)32)37-24(38-22)40-10-8-39(9-11-40)23-17(26(33,34)35)2-1-7-36-23/h1-7,12-13H,8-11H2,(H,37,38)
• InChIKey: DMVKBKUYHCUYLK-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 48.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.45
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?

The IUPAC name of 1-[5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 11563206) is 1-[5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

What is the SMILES notation for 1-[5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?

The canonical SMILES for 1-[5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is Fc1cc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccc(C(F)(F)F)cc2)cc(F)c1F.

What is the InChIKey of 1-[5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?

The InChIKey is DMVKBKUYHCUYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F9N5/c27-18-12-15(13-19(28)20(18)29)22-21(14-3-5-16(6-4-14)25(30,31)32)37-24(38-22)40-10-8-39(9-11-40)23-17(26(33,34)35)2-1-7-36-23/h1-7,12-13H,8-11H2,(H,37,38).

What are the key properties of 1-[5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?

1-[5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 571.45 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trifluorophenyl)-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 11563206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).