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

C22H17F6N5S — CID 11498144

IUPAC4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1cc(-c2cccs2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C22H17F6N5S/c23-21(24,25)13-11-14(17-4-2-10-34-17)18-16(12-13)30-20(31-18)33-8-6-32(7-9-33)19-15(22(26,27)28)3-1-5-29-19/h1-5,10-12H,6-9H2,(H,30,31)
InChIKeyWQGRXFDLFXNGAX-UHFFFAOYSA-N
MW497.47 g/mol
LogP6.05
Rot. Bonds3

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

4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (PubChem CID 11498144) has the molecular formula C22H17F6N5S and a molecular weight of 497.47 g/mol. Its IUPAC name is 4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
PubChem CID11498144
Molecular FormulaC22H17F6N5S
Molecular Weight497.47 g/mol
Exact Mass497.11
IUPAC Name4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1cc(-c2cccs2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C22H17F6N5S/c23-21(24,25)13-11-14(17-4-2-10-34-17)18-16(12-13)30-20(31-18)33-8-6-32(7-9-33)19-15(22(26,27)28)3-1-5-29-19/h1-5,10-12H,6-9H2,(H,30,31)
InChIKeyWQGRXFDLFXNGAX-UHFFFAOYSA-N
XLogP6.05
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.47
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (CID 11498144) is 4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is FC(F)(F)c1cc(-c2cccs2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1.
What is the InChIKey of 4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The InChIKey is WQGRXFDLFXNGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6N5S/c23-21(24,25)13-11-14(17-4-2-10-34-17)18-16(12-13)30-20(31-18)33-8-6-32(7-9-33)19-15(22(26,27)28)3-1-5-29-19/h1-5,10-12H,6-9H2,(H,30,31).
What are the key properties of 4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole has a molecular weight of 497.47 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 11498144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).