Catalog | OFC199594600 |
CAS | 199594-60-0 |
Category | Fluorinated Benzimidazoles |
Synonyms | 1H-Benzimidazole, 2-(2,6-difluorophenyl)-1-(phenylmethyl)- |
Purity | 97% |
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IUPAC Name | 1-benzyl-2-(2,6-difluorophenyl)benzimidazole |
InChI | InChI=1S/C20H14F2N2/c21-15-9-6-10-16(22)19(15)20-23-17-11-4-5-12-18(17)24(20)13-14-7-2-1-3-8-14/h1-12H,13H2 |
InChI Key | KMDLTYJFNYHMHA-UHFFFAOYSA-N |
Isomeric SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C4=C(C=CC=C4F)F |
Molecular Formula | C20H14F2N2 |
Molecular Weight | 320.34 |
XLogP3-AA | 4.9 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 3 |
Exact Mass | 320.11250478 g/mol |
Monoisotopic Mass | 320.11250478 g/mol |
Topological Polar Surface Area | 17.8Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 402 |
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