Cas no 69557-54-6 (1H-Benzimidazole,5,7-dimethyl-)
69557-54-6 structure
Product Name:1H-Benzimidazole,5,7-dimethyl-
CAS No:69557-54-6
MF:C9H10N2
MW:146.189101696014
CID:500567
PubChem ID:15025355
Update Time:2025-04-19
1H-Benzimidazole,5,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,5,7-dimethyl-
- 1H-Benzimidazole,4,6-dimethyl-(9CI)
- 4,6-Dimethylbenzimidazole
- 4,6-dimethyl-1H-benzo[d]imidazole
- AKOS006351748
- 4,6-dimethylben-zimidazole
- AKOS022421196
- MFCD05663433
- 5,7-dimethyl-1H-1,3-benzimidazole
- 69557-54-6
- BDHQVPWFPRIJQW-UHFFFAOYSA-N
- SCHEMBL3859120
- SCHEMBL8404371
-
- Inchi： 1S/C9H10N2/c1-6-3-7(2)9-8(4-6)10-5-11-9/h3-5H,1-2H3,(H,10,11)
- InChI Key： BDHQVPWFPRIJQW-UHFFFAOYSA-N
- SMILES： N1C=NC2C(C)=CC(C)=CC1=2
Computed Properties
- Exact Mass: 146.0845
- Monoisotopic Mass: 146.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 147
- 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: 2.2
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 28.68
1H-Benzimidazole,5,7-dimethyl- Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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