Catalog | OFC899809053-1 |
CAS | 899809-05-3 |
Category | Fluorinated Benzimidazoles |
Synonyms | (4-fluorobenzyl)-[1-(4-fluorobenzyl)-1H-benzoimidazol-2-yl]amine |
Purity | >95% |
MDL Number | MFCD09697750 |
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IUPAC Name | N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine |
InChI | InChI=1S/C21H17F2N3/c22-17-9-5-15(6-10-17)13-24-21-25-19-3-1-2-4-20(19)26(21)14-16-7-11-18(23)12-8-16/h1-12H,13-14H2,(H,24,25) |
InChI Key | JNCQVEDGQFGALE-UHFFFAOYSA-N |
Isomeric SMILES | C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)NCC4=CC=C(C=C4)F |
Molecular Formula | C21H17F2N3 |
Molecular Weight | 349.38 |
XLogP3-AA | 5 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 5 |
Exact Mass | 349.13905388 g/mol |
Monoisotopic Mass | 349.13905388 g/mol |
Topological Polar Surface Area | 29.8Ų |
Heavy Atom Count | 26 |
Formal Charge | 0 |
Complexity | 433 |
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