5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one

C20H21F3N4O2 — CID 11486571

IUPAC5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(OCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]1
InChIInChI=1S/C20H21F3N4O2/c21-20(22,23)14-2-1-3-15(12-14)27-8-6-26(7-9-27)10-11-29-16-4-5-17-18(13-16)25-19(28)24-17/h1-5,12-13H,6-11H2,(H2,24,25,28)
InChIKeyKPEURFNDOXZGIZ-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.08
Rot. Bonds5

About 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one

5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one (PubChem CID 11486571) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one
PubChem CID11486571
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(OCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]1
InChIInChI=1S/C20H21F3N4O2/c21-20(22,23)14-2-1-3-15(12-14)27-8-6-26(7-9-27)10-11-29-16-4-5-17-18(13-16)25-19(28)24-17/h1-5,12-13H,6-11H2,(H2,24,25,28)
InChIKeyKPEURFNDOXZGIZ-UHFFFAOYSA-N
XLogP3.08
TPSA64.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one (CID 11486571) is 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(OCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]1.
What is the InChIKey of 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KPEURFNDOXZGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c21-20(22,23)14-2-1-3-15(12-14)27-8-6-26(7-9-27)10-11-29-16-4-5-17-18(13-16)25-19(28)24-17/h1-5,12-13H,6-11H2,(H2,24,25,28).
What are the key properties of 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one?
5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 406.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 11486571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).