Organofluorine / Alfa Chemistry
2-(2-(1H-Imidazol-2-yl)phenyl)-5-fluoro-1H-benzo[d]imidazole

2-(2-(1H-Imidazol-2-yl)phenyl)-5-fluoro-1H-benzo[d]imidazole

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2-(2-(1H-Imidazol-2-yl)phenyl)-5-fluoro-1H-benzo[d]imidazole
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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Other Identifiers Chemical Data Computational Chemistry
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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