General Information of the Compound
Compound ID
CP0378667
Compound Name
Addyi
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Synonyms
1,3-Dihydro-1-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-2H-benzimidazol-2-one
1-(2-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)ethyl)benzimidazol(1H)-2-one
1-(2-(4-(alpha,alpha,alpha-Trifluoro-m-tolyl)-1-piperazinyl)ethyl)-2-benzimidazolinone
1-(2-(4-alpha,alpha,alpha-Trifluoro-m-tolyl)-1-piperazinyl)ethyl)-2-benzimidazolinone
3-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
Bimt 17
Bimt-17
Flibanserin
Flibanserin [USAN]
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Structure
Formula
C20H21F3N4O
Molecular Weight
390.409
Canonical SMILES
FC(F)(F)c1cccc(c1)N1CCN(CCn2c3ccccc3[nH]c2=O)CC1
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InChI
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)
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InChIKey
PPRRDFIXUUSXRA-UHFFFAOYSA-N
CAS
167933-07-5
Physicochemical Property
logP
3.1706
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
44.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 6918248
SID: 14805189
ChEMBL ID
CHEMBL231068
DrugBank ID
DB04908
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000049 C6 Rattus norvegicus (Rat)  1
1
EC50 = 630.96 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Flibanserin )
Drug Name Flibanserin
Company Boehringer Ingelheim
Indication
Mood disorder
Approved
Female sexual arousal dysfunction
Phase 3
Target(s)
5-HT 2A receptor (HTR2A)
Modulator
5-HT 1A receptor (HTR1A)
Modulator