IUPAC name
1-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
SMILES
FC(F)(F)C1=CC(=CC=C1)N1CCN(CCN2C(=O)NC3=CC=CC=C23)CC1
Compound class
Genito Urinary System and Sex Hormones; CYP3A4 Inhibitors;
Therapeutic area
For the treatment of hypoactive sexual desire disorder (HSDD) in premenopausal women.
Common name
Flibanserin
IUPAC name
1-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
SMILES
FC(F)(F)C1=CC(=CC=C1)N1CCN(CCN2C(=O)NC3=CC=CC=C23)CC1
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)
FORMULA
C20H21F3N4O
Common name
Flibanserin
IUPAC name
1-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
Molecular weight
390.402
clogP
3.390
clogS
-4.707
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
44.27
Number of Rings
4
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00992 | 1,3-dihydrobenzimidazol-2-one |
|
O=c1[nH]c2c([nH]1)cccc2 | 0.0017 |
| FDBF02689 | 3-ethyl-1H-benzimidazol-2-one |
|
O=c1n(c2c([nH]1)cccc2)CC | 0.0007 |
| FDBF03014 | 1-methyl-4-phenyl-piperazine |
|
c1(ccccc1)N2CCN(CC2)C | 0.0014 |
| FDBF03015 | 1-[3-(trifluoromethyl)phenyl]piperazine |
|
c1(cc(ccc1)C(F)(F)F)N2CCNCC2 | 0.0010 |
| FDBF03018 | 1-methyl-4-[3-(trifluoromethyl)phenyl]piperazine |
|
c1(cc(ccc1)C(F)(F)F)N2CCN(CC2)C | 0.0010 |
| FDBF03256 | 1-ethyl-4-phenyl-piperazine |
|
c1(ccccc1)N2CCN(CC2)CC | 0.0007 |
16 ,
2
