2-Phenylbenzimidazole

• Catalog Number: ACM716790
• Product Name: 2-Phenylbenzimidazole
• CAS: 716-79-0
• Category: Imidazoles
• IUPAC Name: 2-phenyl-1H-benzimidazole
• Molecular Weight: 194.23g/mol
• Molecular Formula: C13H10N2
• 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