2-(4-Aminophenyl)-1H-benzo[d]imidazol-5-amine

• CAS: 7621-86-5
• Catalog Number: ACM7621865
• Category: Imidazoles
• Molecular Weight: 224.26g/mol
• Molecular Formula: C13H12N4
• IUPAC Name: 2-(4-aminophenyl)-3H-benzimidazol-5-amine
• Canonical SMILES: C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)N)N
• InChI: InChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)
• InChI Key: XAFOTXWPFVZQAZ-UHFFFAOYSA-N
• Appearance: White Solid
• Complexity: 262
• Covalently-Bonded Unit Count: 1
• EC Number: 231-538-6
• Exact Mass: 224.106196g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Heavy Atom Count: 17
• Monoisotopic Mass: 224.106196g/mol
• NSC Number: 408148
• Rotatable Bond Count: 1
• XLogP3: 1.9

Synthetic Use

Upstream Synthesis Route 1

• 37632-91-0

• 7621-86-5

Reference: [1]Patent: CN107474016,2017,A .Location in patent: Paragraph 0017-0018

Upstream Synthesis Route 2

• 1772-39-0

• 7621-86-5

Reference: [1]Patent: CN108558770,2018,A .Location in patent: Paragraph 0079; 0080; 0081

Upstream Synthesis Route 3

• 60779-50-2

• 7621-86-5

Reference: [1]Patent: DE70862,