Cas no 82326-42-9 (1H-Benzimidazole, 5,6-dimethyl-2-propyl-)
82326-42-9 structure
Product Name:1H-Benzimidazole, 5,6-dimethyl-2-propyl-
CAS No:82326-42-9
MF:C12H16N2
MW:188.268842697144
CID:708347
Update Time:2023-08-03
1H-Benzimidazole, 5,6-dimethyl-2-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,5,6-dimethyl-2-propyl-
- 1H-Benzimidazole,5,6-dimethyl-2-propyl-(9CI)
- 1H-Benzimidazole, 5,6-dimethyl-2-propyl-
- BDBM50404910
- 5,6-Dimethyl-2-propyl-1H-benzoimidazole
- 2-Propyl-5,6-dimethyl-1H-benzoimidazole
-
- Inchi： 1S/C12H16N2/c1-4-5-12-13-10-6-8(2)9(3)7-11(10)14-12/h6-7H,4-5H2,1-3H3,(H,13,14)
- InChI Key： CEBIUPNWQBWRSS-UHFFFAOYSA-N
- SMILES： N1C(CCC)=NC2C=C(C)C(C)=CC1=2
Computed Properties
- Exact Mass: 188.131
- Monoisotopic Mass: 188.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 193
- 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: 3.2
- Topological Polar Surface Area: 28.7
1H-Benzimidazole, 5,6-dimethyl-2-propyl- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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