Cas no 207400-81-5 ([3-[[4-[2-(1-Benzyltetrazol-5-yl)phenyl]phenyl]methyl]-2-butyl-5-chloroimidazol-4-yl]methanol)
![[3-[[4-[2-(1-Benzyltetrazol-5-yl)phenyl]phenyl]methyl]-2-butyl-5-chloroimidazol-4-yl]methanol structure](https://ossimg.kuujia.com/scimg/207500/207400-81-5x500.png)
207400-81-5 structure
Product Name:[3-[[4-[2-(1-Benzyltetrazol-5-yl)phenyl]phenyl]methyl]-2-butyl-5-chloroimidazol-4-yl]methanol
CAS No:207400-81-5
MF:C29H29ClN6O
MW:513.033164739609
CID:834183
Update Time:2023-08-03
[3-[[4-[2-(1-Benzyltetrazol-5-yl)phenyl]phenyl]methyl]-2-butyl-5-chloroimidazol-4-yl]methanol Chemical and Physical Properties
Names and Identifiers
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- 1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-[[2'-[1-(phenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-
- [3-[[4-[2-(1-benzyltetrazol-5-yl)phenyl]phenyl]methyl]-2-butyl-5-chloroimidazol-4-yl]methanol
- 1H-Imidazole-5-methanol,2-butyl-4-chloro-1-[[2'-[1-(phenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-
- [3-[[4-[2-(1-Benzyltetrazol-5-yl)phenyl]phenyl]methyl]-2-butyl-5-chloroimidazol-4-yl]methanol
-
- Inchi： 1S/C29H29ClN6O/c1-2-3-13-27-31-28(30)26(20-37)35(27)18-22-14-16-23(17-15-22)24-11-7-8-12-25(24)29-32-33-34-36(29)19-21-9-5-4-6-10-21/h4-12,14-17,37H,2-3,13,18-20H2,1H3
- InChI Key： FBKRDLUQJYLCJH-UHFFFAOYSA-N
- SMILES： ClC1=C(CO)N(CC2C=CC(=CC=2)C2=CC=CC=C2C2=NN=NN2CC2C=CC=CC=2)C(CCCC)=N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 37
- Rotatable Bond Count: 10
- Complexity: 673
- Topological Polar Surface Area: 81.6
[3-[[4-[2-(1-Benzyltetrazol-5-yl)phenyl]phenyl]methyl]-2-butyl-5-chloroimidazol-4-yl]methanol Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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