2-Phenylbenzimidazole

• CAS: 716-79-0
• Catalog Number: ACM716790
• Category: Imidazoles
• Molecular Weight: 194.23g/mol
• Molecular Formula: C13H10N2
• IUPAC Name: 2-phenyl-1H-benzimidazole
• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2
• InChI: InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)
• InChI Key: DWYHDSLIWMUSOO-UHFFFAOYSA-N
• Boiling Point: 422ºC
• Melting Point: 293.0 °C
• Density: 1.211g/cm³
• Solubility: 21.9 [ug/mL]
• Appearance: Off-white powder
• Complexity: 211
• Covalently-Bonded Unit Count: 1
• EC Number: 211-939-2
• Exact Mass: 194.084398g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 15
• LogP: 3.24 (LogP)
• Monoisotopic Mass: 194.084398g/mol
• NSC Number: 251956
• Rotatable Bond Count: 1
• UNII: CB9ZJ140SB
• XLogP3: 3.2

Synthetic Use

Upstream Synthesis Route 1

• 120-46-7
• 95-54-5

• 716-79-0

Reference: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,2015,vol. 54B,p. 953 - 957

Upstream Synthesis Route 2

• 95-54-5
• 65-85-0

• 716-79-0

Reference: [1]Synthetic Communications,2007,vol. 37,p. 2457 - 2460

Downstream Synthesis Route 1

• 589-87-7
• 716-79-0

• 760212-58-6

Reference: [1] Journal of Materials Chemistry C, 2015, vol. 3, # 21, p. 5430 - 5439

Downstream Synthesis Route 2

• 716-79-0

• 570-22-9
• 888-60-8

Reference: [1] Russian Journal of Organic Chemistry, 2016, vol. 52, # 10, p. 1528 - 1530[2] Zh. Org. Khim., 2016, vol. 52, # 10, p. 1533 - 1535,3

Downstream Synthesis Route 3

• 716-79-0

• 1571-85-3

Reference: [1]Mishra, Arvnabh; Narolkar, Swati; Patel, Dhaval M.; Patel, Nirmal K.
[Oriental Journal of Chemistry, 2022, vol. 38, # 2, p. 432 - 438]
[2]Sugumaran; Ramanathan
[Indian Journal of Heterocyclic Chemistry, 2011, vol. 21, # 1, p. 97 - 98]
[3]Huebner
[Justus Liebigs Annalen der Chemie, 1881, vol. 208, p. 305]

* For details of the synthesis route, please refer to the original source to ensure accuracy.