6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole

C19H16F6N4 — CID 11524464

IUPAC6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(N3CCN(c4ccccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C19H16F6N4/c20-18(21,22)12-5-6-14-15(11-12)27-17(26-14)29-9-7-28(8-10-29)16-4-2-1-3-13(16)19(23,24)25/h1-6,11H,7-10H2,(H,26,27)
InChIKeyAUUJYHBCLDTEJF-UHFFFAOYSA-N
MW414.35 g/mol
LogP4.93
Rot. Bonds2

About 6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole

6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole (PubChem CID 11524464) has the molecular formula C19H16F6N4 and a molecular weight of 414.35 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole
PubChem CID11524464
Molecular FormulaC19H16F6N4
Molecular Weight414.35 g/mol
Exact Mass414.13
IUPAC Name6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(N3CCN(c4ccccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C19H16F6N4/c20-18(21,22)12-5-6-14-15(11-12)27-17(26-14)29-9-7-28(8-10-29)16-4-2-1-3-13(16)19(23,24)25/h1-6,11H,7-10H2,(H,26,27)
InChIKeyAUUJYHBCLDTEJF-UHFFFAOYSA-N
XLogP4.93
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole (CID 11524464) is 6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole is FC(F)(F)c1ccc2nc(N3CCN(c4ccccc4C(F)(F)F)CC3)[nH]c2c1.
What is the InChIKey of 6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole?
The InChIKey is AUUJYHBCLDTEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N4/c20-18(21,22)12-5-6-14-15(11-12)27-17(26-14)29-9-7-28(8-10-29)16-4-2-1-3-13(16)19(23,24)25/h1-6,11H,7-10H2,(H,26,27).
What are the key properties of 6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole?
6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole has a molecular weight of 414.35 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 11524464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).