Catalog | OFC824394458 |
CAS | 824394-45-8 |
Category | Fluorinated Benzimidazoles |
Synonyms | 1H-Benzimidazole, 5-fluoro-2-[2-(1H-imidazol-2-yl)phenyl]- |
Purity | 97% |
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IUPAC Name | 6-fluoro-2-[2-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole |
InChI | InChI=1S/C16H11FN4/c17-10-5-6-13-14(9-10)21-16(20-13)12-4-2-1-3-11(12)15-18-7-8-19-15/h1-9H,(H,18,19)(H,20,21) |
InChI Key | QXXHUPXXZGREEW-UHFFFAOYSA-N |
Isomeric SMILES | C1=CC=C(C(=C1)C2=NC=CN2)C3=NC4=C(N3)C=C(C=C4) |
Molecular Formula | C16H11FN4 |
Molecular Weight | 278.28 |
XLogP3-AA | 3.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Exact Mass | 278.09677453 g/mol |
Monoisotopic Mass | 278.09677453 g/mol |
Topological Polar Surface Area | 57.4Ų |
Heavy Atom Count | 21 |
Formal Charge | 0 |
Complexity | 366 |
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