Catalog | OFC1417794150-2 |
CAS | 1417794-15-0 |
Category | Fluorinated Benzimidazoles |
Synonyms | {1-[1-(4-Fluoro-benzyl)-1H-benzoimidazol-2-yl]-piperidin-4-yl}-methanol |
Purity | 95% |
MDL Number | MFCD22631648 |
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IUPAC Name | [1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanol |
InChI | InChI=1S/C20H22FN3O/c21-17-7-5-15(6-8-17)13-24-19-4-2-1-3-18(19)22-20(24)23-11-9-16(14-25)10-12-23/h1-8,16,25H,9-14H2 |
InChI Key | IVXVFSROJNULRF-UHFFFAOYSA-N |
Isomeric SMILES | C1CN(CCC1CO)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F |
Molecular Formula | C20H22FN3O |
Molecular Weight | 339.41 |
Storage | Sealed in dry, 2-8°C |
XLogP3-AA | 3.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 4 |
Exact Mass | 339.17469050 g/mol |
Monoisotopic Mass | 339.17469050 g/mol |
Topological Polar Surface Area | 41.3Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 421 |
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