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Flibanserin

C20H21F3N4O — CID 6918248

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)
InChIKeyPPRRDFIXUUSXRA-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.17
Rot. Bonds4

About Flibanserin

Flibanserin (PubChem CID 6918248) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound NameFlibanserin
PubChem CID6918248
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)
InChIKeyPPRRDFIXUUSXRA-UHFFFAOYSA-N
XLogP3.17
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pimozide
CID 16362
Oxatomide
CID 4615
1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one
CID 10066285
Tbpb
CID 10092649
1-[4-(4-phenylpiperazin-1-yl)butyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369455
1-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369457
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-fluorophenyl)urea
CID 24768228
2H-Benzimidazol-2-one, 1,3-dihydro-1-(phenylmethyl)-4-(1-piperazinyl)-
CID 11587610
3-[1-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
CID 12763888

Frequently Asked Questions

What is the IUPAC name of Flibanserin?
The IUPAC name of Flibanserin (CID 6918248) is 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for Flibanserin?
The canonical SMILES for Flibanserin is O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of Flibanserin?
The InChIKey is PPRRDFIXUUSXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28).
What are the key properties of Flibanserin?
Flibanserin has a molecular weight of 390.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Flibanserin is sourced from PubChem (CID 6918248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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