Catalog | OFC99138837 |
CAS | 99138-83-7 |
Category | Fluorinated Benzimidazoles |
Synonyms | 1-[(3-fluorophenyl)methyl]-1H-benzimidazol-2-amine |
Purity | 97% |
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IUPAC Name | 1-[(3-fluorophenyl)methyl]benzimidazol-2-amine |
InChI | InChI=1S/C14H12FN3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17) |
InChI Key | IGTREIYZVKUTSY-UHFFFAOYSA-N |
Isomeric SMILES | C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)F)N |
Molecular Formula | C14H12FN3 |
Molecular Weight | 241.27 |
XLogP3-AA | 2.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Exact Mass | 241.10152556 g/mol |
Monoisotopic Mass | 241.10152556 g/mol |
Topological Polar Surface Area | 43.8Ų |
Heavy Atom Count | 18 |
Formal Charge | 0 |
Complexity | 286 |
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