Cas no 78196-70-0 (2,2'-Bi-1H-benzimidazole,6,6'-dimethyl-)
78196-70-0 structure
Product Name:2,2'-Bi-1H-benzimidazole,6,6'-dimethyl-
CAS No:78196-70-0
MF:C16H14N4
MW:262.30916261673
CID:575447
PubChem ID:243876
Update Time:2025-04-19
2,2'-Bi-1H-benzimidazole,6,6'-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,2'-Bi-1H-benzimidazole,6,6'-dimethyl-
- 6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole
- 2,2'-Bi-1H-benzimidazole,5,5'-dimethyl- (9CI)
- 5(6),5'(6')-dimethylbibenzimidazole
- 5,5'-dimethyl-1(3)H,1'(3')H-[2,2']bibenzimidazolyl
- 5,5'-dimethyl-1H,1'H-[2,2']bibenzoimidazolyl
- 5,5'-dimethyl-2,2'-bibenzimidazole
- 5,5'-dimethyl-2,2'-bisbenzimidazole
- AC1L6CJ2
- AG-J-72566
- CTK5E5492
- NSC54093
- SureCN1171203
- DTXSID30288096
- SCHEMBL1171203
- 78196-70-0
- NSC-54093
- 6,6'-Dimethyl-1H,1'H-2,2'-bibenzimidazole
-
- Inchi： 1S/C16H14N4/c1-9-3-5-11-13(7-9)19-15(17-11)16-18-12-6-4-10(2)8-14(12)20-16/h3-8H,1-2H3,(H,17,19)(H,18,20)
- InChI Key： LTRADJKPFBPZJG-UHFFFAOYSA-N
- SMILES： N1C2C=C(C)C=CC=2N=C1C1=NC2C=CC(C)=CC=2N1
Computed Properties
- Exact Mass: 262.12202
- Monoisotopic Mass: 262.122
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 57.4?2
Experimental Properties
- Density: 1.32
- Boiling Point: 553.1°C at 760 mmHg
- Flash Point: 261.6°C
- Refractive Index: 1.753
- PSA: 57.36
- LogP: 3.72300
2,2'-Bi-1H-benzimidazole,6,6'-dimethyl- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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