Catalog | OFC1134322932 |
CAS | 1134322-93-2 |
Category | Fluorinated Benzimidazoles |
Synonyms | 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;dihydrochloride |
Purity | >95% |
MDL Number | MFCD03844681 |
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IUPAC Name | 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidin-4-amine;dihydrochloride |
InChI | InChI=1S/C20H23FN4.2ClH/c1-22-17-10-12-24(13-11-17)20-23-18-4-2-3-5-19(18)25(20)14-15-6-8-16(21)9-7-15;;/h2-9,17,22H,10-14H2,1H3;2*1H |
InChI Key | ZIGFBTWAPHHQRA-UHFFFAOYSA-N |
Isomeric SMILES | CNC1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F.Cl.Cl |
Molecular Formula | C20H25Cl2FN4 |
Molecular Weight | 411.34 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 4 |
Exact Mass | 410.1440304 g/mol |
Monoisotopic Mass | 410.1440304 g/mol |
Topological Polar Surface Area | 33.1Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 418 |
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