Cas no 620604-08-2 (1-(1,5-dimethyl-1H-benzimidazol-2-yl)-Ethanone)
620604-08-2 structure
Product Name:1-(1,5-dimethyl-1H-benzimidazol-2-yl)-Ethanone
CAS No:620604-08-2
MF:C11H12N2O
MW:188.225782394409
CID:1114964
PubChem ID:45077832
Update Time:2025-04-20
1-(1,5-dimethyl-1H-benzimidazol-2-yl)-Ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(1,5-dimethyl-1H-benzimidazol-2-yl)-Ethanone
- Ethanone, 1-(1,5-dimethyl-1H-benzimidazol-2-yl)- (9CI)
- Ethanone, 1-(1,5-dimethyl-1H-benzimidazol-2-yl)-
- DB-275857
- AKOS012322148
- 620604-08-2
-
- Inchi： 1S/C11H12N2O/c1-7-4-5-10-9(6-7)12-11(8(2)14)13(10)3/h4-6H,1-3H3
- InChI Key： OKPSOFLNTJPFKF-UHFFFAOYSA-N
- SMILES： O=C(C)C1=NC2C=C(C)C=CC=2N1C
Computed Properties
- Exact Mass: 188.094963011g/mol
- Monoisotopic Mass: 188.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 241
- 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: 1.8
- Topological Polar Surface Area: 34.9?2
1-(1,5-dimethyl-1H-benzimidazol-2-yl)-Ethanone Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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