2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol

C21H23F3N4O — CID 139430862

IUPAC2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc3c2nc(C(F)(F)F)n3Cc2ccccc2)CC1
InChIInChI=1S/C21H23F3N4O/c22-21(23,24)20-25-19-17(27-11-9-26(10-12-27)13-14-29)7-4-8-18(19)28(20)15-16-5-2-1-3-6-16/h1-8,29H,9-15H2
InChIKeyZDGBXAJWSSDGJT-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.22
Rot. Bonds5

About 2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol

2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol (PubChem CID 139430862) has the molecular formula C21H23F3N4O and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol
PubChem CID139430862
Molecular FormulaC21H23F3N4O
Molecular Weight404.44 g/mol
Exact Mass404.18
IUPAC Name2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cccc3c2nc(C(F)(F)F)n3Cc2ccccc2)CC1
InChIInChI=1S/C21H23F3N4O/c22-21(23,24)20-25-19-17(27-11-9-26(10-12-27)13-14-29)7-4-8-18(19)28(20)15-16-5-2-1-3-6-16/h1-8,29H,9-15H2
InChIKeyZDGBXAJWSSDGJT-UHFFFAOYSA-N
XLogP3.22
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol (CID 139430862) is 2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2cccc3c2nc(C(F)(F)F)n3Cc2ccccc2)CC1.
What is the InChIKey of 2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol?
The InChIKey is ZDGBXAJWSSDGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O/c22-21(23,24)20-25-19-17(27-11-9-26(10-12-27)13-14-29)7-4-8-18(19)28(20)15-16-5-2-1-3-6-16/h1-8,29H,9-15H2.
What are the key properties of 2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol?
2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol has a molecular weight of 404.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 139430862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).