Cas no 23073-50-9 (2-ethyl-6-methoxy-1H-Benzimidazole)
23073-50-9 structure
Product Name:2-ethyl-6-methoxy-1H-Benzimidazole
CAS No:23073-50-9
MF:C10H12N2O
MW:176.215082168579
CID:251690
PubChem ID:18711889
Update Time:2025-04-19
2-ethyl-6-methoxy-1H-Benzimidazole Chemical and Physical Properties
Names and Identifiers
-
- 2-ethyl-6-methoxy-1H-Benzimidazole
- Benzimidazole,2-ethyl-5-methoxy- (8CI)
- 1H-Benzimidazole,2-ethyl-6-methoxy-
- SCHEMBL10272594
- AKOS006331411
- 23073-50-9
- SCHEMBL1459619
- 2-ethyl-5-methoxy-1H-benzo[d]imidazole
-
- Inchi: 1S/C10H12N2O/c1-3-10-11-8-5-4-7(13-2)6-9(8)12-10/h4-6H,3H2,1-2H3,(H,11,12)
- InChI Key: AAXILYPOZBBCEU-UHFFFAOYSA-N
- SMILES: O(C)C1C=CC2=C(C=1)NC(CC)=N2
Computed Properties
- Exact Mass: 176.09506
- Monoisotopic Mass: 176.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 174
- 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: 2.7
- Topological Polar Surface Area: 37.9?2
Experimental Properties
- PSA: 37.91
2-ethyl-6-methoxy-1H-Benzimidazole Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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