Cas no 216591-59-2 (1H-Benzimidazole-2-methanol,1-ethyl-5-methyl-)
216591-59-2 structure
Product Name:1H-Benzimidazole-2-methanol,1-ethyl-5-methyl-
CAS No:216591-59-2
MF:C11H14N2O
MW:190.241662502289
CID:243318
PubChem ID:45077957
Update Time:2025-04-19
1H-Benzimidazole-2-methanol,1-ethyl-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-methanol,1-ethyl-5-methyl-
- 1H-Benzimidazole-2-methanol,1-ethyl-5-methyl-(9CI)
- 216591-59-2
- AKOS013069823
- 1-Ethyl-5-methyl-1H-benzimidazole-2-methanol
- (1-Ethyl-5-methyl-1H-benzo[d]imidazol-2-yl)methanol
- DTXSID201258450
-
- Inchi： 1S/C11H14N2O/c1-3-13-10-5-4-8(2)6-9(10)12-11(13)7-14/h4-6,14H,3,7H2,1-2H3
- InChI Key： BUTWAZAMHPLMJX-UHFFFAOYSA-N
- SMILES： OCC1=NC2C=C(C)C=CC=2N1CC
Computed Properties
- Exact Mass: 190.11072
- Monoisotopic Mass: 190.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 198
- 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
- Topological Polar Surface Area: 38A^2
- XLogP3: 1.3
Experimental Properties
- PSA: 38.05
1H-Benzimidazole-2-methanol,1-ethyl-5-methyl- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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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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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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