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

C25H21F6N5 — CID 11620372

IUPAC1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole
SMILESFC(F)(F)c1ccc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C25H21F6N5/c26-24(27,28)18-8-9-20-21(15-18)36(16-17-5-2-1-3-6-17)23(33-20)35-13-11-34(12-14-35)22-19(25(29,30)31)7-4-10-32-22/h1-10,15H,11-14,16H2
InChIKeyLCODEYMRFPTFAC-UHFFFAOYSA-N
MW505.47 g/mol
LogP5.84
Rot. Bonds4

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

1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole (PubChem CID 11620372) has the molecular formula C25H21F6N5 and a molecular weight of 505.47 g/mol. Its IUPAC name is 1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole
PubChem CID11620372
Molecular FormulaC25H21F6N5
Molecular Weight505.47 g/mol
Exact Mass505.17
IUPAC Name1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole
SMILESFC(F)(F)c1ccc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C25H21F6N5/c26-24(27,28)18-8-9-20-21(15-18)36(16-17-5-2-1-3-6-17)23(33-20)35-13-11-34(12-14-35)22-19(25(29,30)31)7-4-10-32-22/h1-10,15H,11-14,16H2
InChIKeyLCODEYMRFPTFAC-UHFFFAOYSA-N
XLogP5.84
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole?
The IUPAC name of 1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole (CID 11620372) is 1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole.
What is the SMILES notation for 1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole?
The canonical SMILES for 1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole is FC(F)(F)c1ccc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole?
The InChIKey is LCODEYMRFPTFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6N5/c26-24(27,28)18-8-9-20-21(15-18)36(16-17-5-2-1-3-6-17)23(33-20)35-13-11-34(12-14-35)22-19(25(29,30)31)7-4-10-32-22/h1-10,15H,11-14,16H2.
What are the key properties of 1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole?
1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole has a molecular weight of 505.47 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzimidazole is sourced from PubChem (CID 11620372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).