Cas no 19275-91-3 (1H-Benzimidazole-2-ethanol,a,6-dimethyl-)
19275-91-3 structure
Product Name:1H-Benzimidazole-2-ethanol,a,6-dimethyl-
CAS No:19275-91-3
MF:C11H14N2O
MW:190.241662502289
CID:123454
PubChem ID:21817117
Update Time:2025-04-18
1H-Benzimidazole-2-ethanol,a,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-ethanol,a,6-dimethyl-
- 2-Benzimidazoleethanol,alpha,5-dimethyl-(8CI)
- 1-(6-methyl-1H-benzimidazol-2-yl)propan-2-ol
- 19275-91-3
- 1-(5-Methyl-1H-benzo[d]imidazol-2-yl)propan-2-ol
-
- Inchi： 1S/C11H14N2O/c1-7-3-4-9-10(5-7)13-11(12-9)6-8(2)14/h3-5,8,14H,6H2,1-2H3,(H,12,13)
- InChI Key： LQJOQTVGECHUPD-UHFFFAOYSA-N
- SMILES： OC(C)CC1=NC2C=CC(C)=CC=2N1
Computed Properties
- Exact Mass: 189.10289
- Monoisotopic Mass: 190.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- 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 : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 48.9A^2
- XLogP3: 1.9
Experimental Properties
- PSA: 46.01
1H-Benzimidazole-2-ethanol,a,6-dimethyl- Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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