4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole

C23H24F6N6 — CID 10391197

IUPAC4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1cc(N2CCCCC2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C23H24F6N6/c24-22(25,26)15-13-17-19(18(14-15)33-7-2-1-3-8-33)32-21(31-17)35-11-9-34(10-12-35)20-16(23(27,28)29)5-4-6-30-20/h4-6,13-14H,1-3,7-12H2,(H,31,32)
InChIKeyHHTJUOATJDYQCI-UHFFFAOYSA-N
MW498.48 g/mol
LogP5.31
Rot. Bonds3

About 4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole

4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (PubChem CID 10391197) has the molecular formula C23H24F6N6 and a molecular weight of 498.48 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
PubChem CID10391197
Molecular FormulaC23H24F6N6
Molecular Weight498.48 g/mol
Exact Mass498.20
IUPAC Name4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1cc(N2CCCCC2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C23H24F6N6/c24-22(25,26)15-13-17-19(18(14-15)33-7-2-1-3-8-33)32-21(31-17)35-11-9-34(10-12-35)20-16(23(27,28)29)5-4-6-30-20/h4-6,13-14H,1-3,7-12H2,(H,31,32)
InChIKeyHHTJUOATJDYQCI-UHFFFAOYSA-N
XLogP5.31
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (CID 10391197) is 4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is FC(F)(F)c1cc(N2CCCCC2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1.
What is the InChIKey of 4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The InChIKey is HHTJUOATJDYQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N6/c24-22(25,26)15-13-17-19(18(14-15)33-7-2-1-3-8-33)32-21(31-17)35-11-9-34(10-12-35)20-16(23(27,28)29)5-4-6-30-20/h4-6,13-14H,1-3,7-12H2,(H,31,32).
What are the key properties of 4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole has a molecular weight of 498.48 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 10391197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).