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

C22H17F6N7 — CID 10255129

IUPAC4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1cc(-c2cnccn2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C22H17F6N7/c23-21(24,25)13-10-14(17-12-29-4-5-30-17)18-16(11-13)32-20(33-18)35-8-6-34(7-9-35)19-15(22(26,27)28)2-1-3-31-19/h1-5,10-12H,6-9H2,(H,32,33)
InChIKeyQOHJMVYILJDCMJ-UHFFFAOYSA-N
MW493.42 g/mol
LogP4.78
Rot. Bonds3

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

4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (PubChem CID 10255129) has the molecular formula C22H17F6N7 and a molecular weight of 493.42 g/mol. Its IUPAC name is 4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
PubChem CID10255129
Molecular FormulaC22H17F6N7
Molecular Weight493.42 g/mol
Exact Mass493.14
IUPAC Name4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1cc(-c2cnccn2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C22H17F6N7/c23-21(24,25)13-10-14(17-12-29-4-5-30-17)18-16(11-13)32-20(33-18)35-8-6-34(7-9-35)19-15(22(26,27)28)2-1-3-31-19/h1-5,10-12H,6-9H2,(H,32,33)
InChIKeyQOHJMVYILJDCMJ-UHFFFAOYSA-N
XLogP4.78
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (CID 10255129) is 4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is FC(F)(F)c1cc(-c2cnccn2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1.
What is the InChIKey of 4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The InChIKey is QOHJMVYILJDCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6N7/c23-21(24,25)13-10-14(17-12-29-4-5-30-17)18-16(11-13)32-20(33-18)35-8-6-34(7-9-35)19-15(22(26,27)28)2-1-3-31-19/h1-5,10-12H,6-9H2,(H,32,33).
What are the key properties of 4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole has a molecular weight of 493.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-yl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 10255129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).