Catalog | OFC1417794503-2 |
CAS | 1417794-50-3 |
Category | Fluorinated Benzimidazoles |
Synonyms | 1-[(3-fluorophenyl)methyl]-2-(piperidin-3-ylmethoxy)benzimidazole;hydrochloride |
Purity | 95% |
MDL Number | MFCD22631651 |
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IUPAC Name | 1-[(3-fluorophenyl)methyl]-2-(piperidin-3-ylmethoxy)benzimidazole;hydrochloride |
InChI | InChI=1S/C20H22FN3O.ClH/c21-17-7-3-5-15(11-17)13-24-19-9-2-1-8-18(19)23-20(24)25-14-16-6-4-10-22-12-16;/h1-3,5,7-9,11,16,22H,4,6,10,12-14H2;1H |
InChI Key | KACMKOAVCVBQTO-UHFFFAOYSA-N |
Isomeric SMILES | C1CC(CNC1)COC2=NC3=CC=CC=C3N2CC4=CC(=CC=C4)F.Cl |
Molecular Formula | C20H23ClFN3O |
Molecular Weight | 375.87 |
Storage | Inert atmosphere, room temperature |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 375.1513682 g/mol |
Monoisotopic Mass | 375.1513682 g/mol |
Topological Polar Surface Area | 39.1Ų |
Heavy Atom Count | 26 |
Formal Charge | 0 |
Complexity | 424 |
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