Catalog | OFC108612493 |
CAS | 108612-49-3 |
Category | Fluorinated Benzimidazoles |
Synonyms | 4-Piperidinamine, 1-[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]- |
Purity | 97% |
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IUPAC Name | 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-amine |
InChI | InChI=1S/C19H21FN4/c20-15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)22-19(24)23-11-9-16(21)10-12-23/h1-8,16H,9-13,21H2 |
InChI Key | JLKLJTQNAMAIJA-UHFFFAOYSA-N |
Isomeric SMILES | C1CN(CCC1N)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F |
Molecular Formula | C19H21FN4 |
Molecular Weight | 324.40 |
XLogP3-AA | 3.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 3 |
Exact Mass | 324.17502485 g/mol |
Monoisotopic Mass | 324.17502485 g/mol |
Topological Polar Surface Area | 47.1Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 404 |
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