4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole

C14H17F3N4O — CID 58646073

IUPAC4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(OCCN3CCNCC3)cccc2[nH]1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)13-19-10-2-1-3-11(12(10)20-13)22-9-8-21-6-4-18-5-7-21/h1-3,18H,4-9H2,(H,19,20)
InChIKeyOZHSGXCZKXZEPP-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.87
Rot. Bonds4

About 4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole

4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole (PubChem CID 58646073) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is 4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole
PubChem CID58646073
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2c(OCCN3CCNCC3)cccc2[nH]1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)13-19-10-2-1-3-11(12(10)20-13)22-9-8-21-6-4-18-5-7-21/h1-3,18H,4-9H2,(H,19,20)
InChIKeyOZHSGXCZKXZEPP-UHFFFAOYSA-N
XLogP1.87
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(3-azido-2-nitrophenyl)piperazin-1-yl]ethoxy]-2-(trifluoromethyl)-1H-benzimidazole;4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole
CID 159922499
2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethanamine
CID 142643857
2-(4-methylsulfanylphenyl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole
CID 25193899
8-(2-piperazin-1-ylethoxy)quinoline
CID 24849055
2-(5-nitrothiophen-2-yl)-4-[4-[2-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]oxy]ethyl]piperazin-1-yl]-1H-benzimidazole
CID 25193490
4-[2-[4-(3-azido-2-nitrophenyl)piperazin-1-yl]ethoxy]-2-(trifluoromethyl)-1H-benzimidazole
CID 58646096
1-[2-(2,3-difluorophenoxy)ethyl]piperazine
CID 63037635
2-(trifluoromethyl)-4-[4-[2-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]ethyl]piperazin-1-yl]-1H-benzimidazole
CID 44561107
difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine
CID 143095458
1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperazine
CID 762602
1-[6-(2-tert-butylphenoxy)hexyl]piperazine
CID 3399314
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole (CID 58646073) is 4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1nc2c(OCCN3CCNCC3)cccc2[nH]1.
What is the InChIKey of 4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is OZHSGXCZKXZEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O/c15-14(16,17)13-19-10-2-1-3-11(12(10)20-13)22-9-8-21-6-4-18-5-7-21/h1-3,18H,4-9H2,(H,19,20).
What are the key properties of 4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole?
4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 314.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-ylethoxy)-2-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 58646073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).