Cas no 82326-43-0 (1H-Benzimidazole, 2-butyl-5,6-dimethyl-)
82326-43-0 structure
Product Name:1H-Benzimidazole, 2-butyl-5,6-dimethyl-
CAS No:82326-43-0
MF:C13H18N2
MW:202.295423030853
CID:693873
PubChem ID:14987324
Update Time:2025-04-19
1H-Benzimidazole, 2-butyl-5,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole, 2-butyl-5,6-dimethyl-
- 2-butyl-5,6-dimethyl-1H-benzimidazole
- JIQLFCSJXKTQKP-UHFFFAOYSA-N
- SCHEMBL9123593
- FT-0720686
- BDBM50404922
- 82326-43-0
- DTXSID40566594
- CHEMBL353807
-
- Inchi： 1S/C13H18N2/c1-4-5-6-13-14-11-7-9(2)10(3)8-12(11)15-13/h7-8H,4-6H2,1-3H3,(H,14,15)
- InChI Key： JIQLFCSJXKTQKP-UHFFFAOYSA-N
- SMILES： N1C2C=C(C)C(C)=CC=2N=C1CCCC
Computed Properties
- Exact Mass: 202.146998583g/mol
- Monoisotopic Mass: 202.146998583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 205
- 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: 3.9
- Topological Polar Surface Area: 28.7?2
1H-Benzimidazole, 2-butyl-5,6-dimethyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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