6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole

C20H21F3N4O — CID 11188446

IUPAC6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(N2CCN(CCOc3ccc4nc[nH]c4c3)CC2)c1
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)15-2-1-3-16(12-15)27-8-6-26(7-9-27)10-11-28-17-4-5-18-19(13-17)25-14-24-18/h1-5,12-14H,6-11H2,(H,24,25)
InChIKeyOOANJQQMFGMQPF-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.78
Rot. Bonds5

About 6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole

6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole (PubChem CID 11188446) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole
PubChem CID11188446
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(N2CCN(CCOc3ccc4nc[nH]c4c3)CC2)c1
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)15-2-1-3-16(12-15)27-8-6-26(7-9-27)10-11-28-17-4-5-18-19(13-17)25-14-24-18/h1-5,12-14H,6-11H2,(H,24,25)
InChIKeyOOANJQQMFGMQPF-UHFFFAOYSA-N
XLogP3.78
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole?
The IUPAC name of 6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole (CID 11188446) is 6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole.
What is the SMILES notation for 6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole?
The canonical SMILES for 6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole is FC(F)(F)c1cccc(N2CCN(CCOc3ccc4nc[nH]c4c3)CC2)c1.
What is the InChIKey of 6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole?
The InChIKey is OOANJQQMFGMQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c21-20(22,23)15-2-1-3-16(12-15)27-8-6-26(7-9-27)10-11-28-17-4-5-18-19(13-17)25-14-24-18/h1-5,12-14H,6-11H2,(H,24,25).
What are the key properties of 6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole?
6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole has a molecular weight of 390.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1H-benzimidazole is sourced from PubChem (CID 11188446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).