Cas no 174503-68-5 (5-[(4-bromonaphthalen-1-yl)oxy]-6-chloro-2-(methylsulfanyl)-1H-benzimidazole)
![5-[(4-bromonaphthalen-1-yl)oxy]-6-chloro-2-(methylsulfanyl)-1H-benzimidazole structure](https://ossimg.kuujia.com/scimg/175000/174503-68-5x500.png)
174503-68-5 structure
Product Name:5-[(4-bromonaphthalen-1-yl)oxy]-6-chloro-2-(methylsulfanyl)-1H-benzimidazole
CAS No:174503-68-5
MF:C18H12BrClN2OS
MW:419.722681045532
CID:1367777
PubChem ID:1098323
Update Time:2025-04-20
5-[(4-bromonaphthalen-1-yl)oxy]-6-chloro-2-(methylsulfanyl)-1H-benzimidazole Chemical and Physical Properties
Names and Identifiers
-
- 5-[(4-bromonaphthalen-1-yl)oxy]-6-chloro-2-(methylsulfanyl)-1H-benzimidazole
- 5-(4-bromonaphthalen-1-yl)oxy-6-chloro-2-methylsulfanyl-1H-benzimidazole
- 1H-Benzimidazole, 5-((4-bromo-1-naphthalenyl)oxy)-6-chloro-2-(methylthio)-
- SR-01000395231-1
- 174503-68-5
- 5-((4-Bromo-1-naphthalenyl)oxy)-6-chloro-2-(methylthio)-1H-benzimidazole
- Oprea1_185846
- DTXSID80169841
- SR-01000395231
- G 1577
- Oprea1_626091
-
- Inchi： 1S/C18H12BrClN2OS/c1-24-18-21-14-8-13(20)17(9-15(14)22-18)23-16-7-6-12(19)10-4-2-3-5-11(10)16/h2-9H,1H3,(H,21,22)
- InChI Key： UIKUMCWBHANAEL-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C2C=CC=CC=21)OC1C(=CC2=C(C=1)N=C(N2)SC)Cl
Computed Properties
- Exact Mass: 417.95436
- Monoisotopic Mass: 417.95422g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 445
- 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
- Surface Charge: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 63.2?2
Experimental Properties
- PSA: 37.91
- LogP: 6.4
5-[(4-bromonaphthalen-1-yl)oxy]-6-chloro-2-(methylsulfanyl)-1H-benzimidazole Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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