tert-Butyl ((5-fluoro-1H-benzo[d]imidazol-2-yl)methyl)carbamate

• Catalog: OFC1446513901
• CAS: 1446513-90-1
• Category: Fluorinated Benzimidazoles
• Purity: 97%
• MDL Number: MFCD29921631

• IUPAC Name: tert-butyl N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]carbamate
• InChI: InChI=1S/C13H16FN3O2/c1-13(2,3)19-12(18)15-7-11-16-9-5-4-8(14)6-10(9)17-11/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17)
• InChI Key: WUYHNBNRZCDIRM-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)OC(=O)NCC1=NC2=C(N1)C=C(C=C2)F

• Molecular Formula: C13H16FN3O2
• Molecular Weight: 265.28

• XLogP3-AA: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 265.12265492 g/mol
• Monoisotopic Mass: 265.12265492 g/mol
• Topological Polar Surface Area: 67Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 332