2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole

C30H26F3N7OS — CID 25194644

IUPAC2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(OCCN3CCN(c4cccc5[nH]c(-c6ccc(-c7ccccn7)s6)nc45)CC3)cccc2[nH]1
InChIInChI=1S/C30H26F3N7OS/c31-30(32,33)29-36-21-7-4-9-23(27(21)38-29)41-18-17-39-13-15-40(16-14-39)22-8-3-6-20-26(22)37-28(35-20)25-11-10-24(42-25)19-5-1-2-12-34-19/h1-12H,13-18H2,(H,35,37)(H,36,38)
InChIKeyZXRLFYPJINOYGM-UHFFFAOYSA-N
MW589.65 g/mol
LogP6.45
Rot. Bonds7

About 2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole

2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole (PubChem CID 25194644) has the molecular formula C30H26F3N7OS and a molecular weight of 589.65 g/mol. Its IUPAC name is 2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole
PubChem CID25194644
Molecular FormulaC30H26F3N7OS
Molecular Weight589.65 g/mol
Exact Mass589.19
IUPAC Name2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(OCCN3CCN(c4cccc5[nH]c(-c6ccc(-c7ccccn7)s6)nc45)CC3)cccc2[nH]1
InChIInChI=1S/C30H26F3N7OS/c31-30(32,33)29-36-21-7-4-9-23(27(21)38-29)41-18-17-39-13-15-40(16-14-39)22-8-3-6-20-26(22)37-28(35-20)25-11-10-24(42-25)19-5-1-2-12-34-19/h1-12H,13-18H2,(H,35,37)(H,36,38)
InChIKeyZXRLFYPJINOYGM-UHFFFAOYSA-N
XLogP6.45
TPSA85.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.65
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole (CID 25194644) is 2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole is FC(F)(F)c1nc2c(OCCN3CCN(c4cccc5[nH]c(-c6ccc(-c7ccccn7)s6)nc45)CC3)cccc2[nH]1.
What is the InChIKey of 2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole?
The InChIKey is ZXRLFYPJINOYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N7OS/c31-30(32,33)29-36-21-7-4-9-23(27(21)38-29)41-18-17-39-13-15-40(16-14-39)22-8-3-6-20-26(22)37-28(35-20)25-11-10-24(42-25)19-5-1-2-12-34-19/h1-12H,13-18H2,(H,35,37)(H,36,38).
What are the key properties of 2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole?
2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole has a molecular weight of 589.65 g/mol, XLogP of 6.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-ylthiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 25194644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).