chempirical

Flibanserin

C20H21F3N4OCAS 167933-07-5390.41 g/mol

Open in Covalent MOL file
HONNNNFFF
Alkyl halidePhenolTertiary amine

Properties

Molecular formula
C20H21F3N4O
Molar mass
390.41 g/mol
Exact mass
390.1667 Da
logP
3.58Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
167933-07-5
SMILES
Oc1nc2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIKey
PPRRDFIXUUSXRA-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 2H-Benzimidazol-2-one, 1,3-dihydro-1-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-
  • 1,3-Dihydro-1-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-2H-benzimidazol-2-one
  • BIMT 17
  • BIMT 17BS
  • Addyi
  • 1-(2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl)-1,3-dihydro-2H-benzimidazol-2-one

Work with Flibanserin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Oxatomide60607-34-347 % similar Domperidone57808-66-946 % similar 1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one62780-89-645 % similar 1-[3-(Trifluoromethyl)phenyl]piperazine15532-75-944 % similar 1-(3-Trifluoromethylphenyl)piperazine hydrochloride16015-69-342 % similar 2H-Benzimidazol-2-one, 5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-, (2Z)-2-butenedioate99497-03-739 % similar Ketanserin74050-98-936 % similar Pimozide2062-78-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook