Organofluorine / Alfa Chemistry
N,1-Bis(4-fluorobenzyl)-1H-benzo[d]imidazol-2-amine

N,1-Bis(4-fluorobenzyl)-1H-benzo[d]imidazol-2-amine

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N,1-Bis(4-fluorobenzyl)-1H-benzo[d]imidazol-2-amine
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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Other Identifiers Chemical Data Computational Chemistry
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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