Cas no 77303-09-4 (2-Ethyl-4-methyl-1H-benzimidazole)
77303-09-4 structure
Product Name:2-Ethyl-4-methyl-1H-benzimidazole
CAS No:77303-09-4
MF:C10H12N2
MW:160.215682029724
CID:549330
Update Time:2023-08-02
2-Ethyl-4-methyl-1H-benzimidazole Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,2-ethyl-7-methyl-
- 1H-Benzimidazole,2-ethyl-4-methyl-(9CI)
- 2-Ethyl-4-methylbenzimidazole
- 2-ethyl-4-methyl-1H-benzimidazole
- 2-Ethyl-4-methyl-1H-benzimidazole
-
- Inchi： 1S/C10H12N2/c1-3-9-11-8-6-4-5-7(2)10(8)12-9/h4-6H,3H2,1-2H3,(H,11,12)
- InChI Key： CXBRZLNSRRMWJP-UHFFFAOYSA-N
- SMILES： N1C(CC)=NC2C(C)=CC=CC1=2
Computed Properties
- Exact Mass: 160.1
- Monoisotopic Mass: 160.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 158
- 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
- Topological Polar Surface Area: 28.7
2-Ethyl-4-methyl-1H-benzimidazole Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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