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

C26H19F8N5 — CID 11548511

IUPAC1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1cc(F)cc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C26H19F8N5/c27-18-12-16(13-19(28)14-18)22-21(15-3-5-17(6-4-15)25(29,30)31)36-24(37-22)39-10-8-38(9-11-39)23-20(26(32,33)34)2-1-7-35-23/h1-7,12-14H,8-11H2,(H,36,37)
InChIKeyKPIMWNCJJPAYBB-UHFFFAOYSA-N
MW553.46 g/mol
LogP6.78
Rot. Bonds4

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

1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 11548511) has the molecular formula C26H19F8N5 and a molecular weight of 553.46 g/mol. Its IUPAC name is 1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID11548511
Molecular FormulaC26H19F8N5
Molecular Weight553.46 g/mol
Exact Mass553.15
IUPAC Name1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFc1cc(F)cc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C26H19F8N5/c27-18-12-16(13-19(28)14-18)22-21(15-3-5-17(6-4-15)25(29,30)31)36-24(37-22)39-10-8-38(9-11-39)23-20(26(32,33)34)2-1-7-35-23/h1-7,12-14H,8-11H2,(H,36,37)
InChIKeyKPIMWNCJJPAYBB-UHFFFAOYSA-N
XLogP6.78
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.46
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 11548511) is 1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is Fc1cc(F)cc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is KPIMWNCJJPAYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F8N5/c27-18-12-16(13-19(28)14-18)22-21(15-3-5-17(6-4-15)25(29,30)31)36-24(37-22)39-10-8-38(9-11-39)23-20(26(32,33)34)2-1-7-35-23/h1-7,12-14H,8-11H2,(H,36,37).
What are the key properties of 1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 553.46 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-difluorophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 11548511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).