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

C26H24F3N7O — CID 25193487

IUPAC2-pyridin-4-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(-c6ccncc6)nc45)CC3)cccc2[nH]1
InChIInChI=1S/C26H24F3N7O/c27-26(28,29)25-32-19-4-2-6-21(23(19)34-25)37-16-15-35-11-13-36(14-12-35)20-5-1-3-18-22(20)33-24(31-18)17-7-9-30-10-8-17/h1-10H,11-16H2,(H,31,33)(H,32,34)
InChIKeyBTZZWICLZNHMQJ-UHFFFAOYSA-N
MW507.52 g/mol
LogP4.72
Rot. Bonds6

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

2-pyridin-4-yl-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole (PubChem CID 25193487) has the molecular formula C26H24F3N7O and a molecular weight of 507.52 g/mol. Its IUPAC name is 2-pyridin-4-yl-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-pyridin-4-yl-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole
PubChem CID25193487
Molecular FormulaC26H24F3N7O
Molecular Weight507.52 g/mol
Exact Mass507.20
IUPAC Name2-pyridin-4-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(-c6ccncc6)nc45)CC3)cccc2[nH]1
InChIInChI=1S/C26H24F3N7O/c27-26(28,29)25-32-19-4-2-6-21(23(19)34-25)37-16-15-35-11-13-36(14-12-35)20-5-1-3-18-22(20)33-24(31-18)17-7-9-30-10-8-17/h1-10H,11-16H2,(H,31,33)(H,32,34)
InChIKeyBTZZWICLZNHMQJ-UHFFFAOYSA-N
XLogP4.72
TPSA85.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.52
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 11656518
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CID 121231410
2-Aminobenzimidazole, 12
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[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-benzyl-amine
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Benzimidazole-urea, 33
CID 10206527
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoxalin-2-amine
CID 16748213
AZ191
CID 72716071
[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-[3-(5-fluoro-1H-indol-3-yl)-propyl]-amine
CID 9798593
Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yloxy)-ethyl]-amine
CID 9840672
[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-[3-(1H-indol-3-yl)-propyl]-amine
CID 11232913

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-pyridin-4-yl-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole (CID 25193487) is 2-pyridin-4-yl-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-pyridin-4-yl-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-pyridin-4-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(-c6ccncc6)nc45)CC3)cccc2[nH]1.
What is the InChIKey of 2-pyridin-4-yl-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole?
The InChIKey is BTZZWICLZNHMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O/c27-26(28,29)25-32-19-4-2-6-21(23(19)34-25)37-16-15-35-11-13-36(14-12-35)20-5-1-3-18-22(20)33-24(31-18)17-7-9-30-10-8-17/h1-10H,11-16H2,(H,31,33)(H,32,34).
What are the key properties of 2-pyridin-4-yl-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole?
2-pyridin-4-yl-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole has a molecular weight of 507.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 25193487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).