Cas no 88346-58-1 (1H-Imidazole, 2,4-dibutyl-)
1H-Imidazole, 2,4-dibutyl- structure
Product Name:1H-Imidazole, 2,4-dibutyl-
CAS No:88346-58-1
MF:C11H20N2
MW:180.289902687073
CID:636208
PubChem ID:13143730
Update Time:2025-04-19
1H-Imidazole, 2,4-dibutyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole, 2,4-dibutyl-
- 2,5-dibutyl-1H-imidazole
- SCHEMBL3840247
- DTXSID60521529
- 88346-58-1
-
- Inchi： 1S/C11H20N2/c1-3-5-7-10-9-12-11(13-10)8-6-4-2/h9H,3-8H2,1-2H3,(H,12,13)
- InChI Key： CIKKWSATWSYOHV-UHFFFAOYSA-N
- SMILES： N1C(CCCC)=NC=C1CCCC
Computed Properties
- Exact Mass: 180.162648646g/mol
- Monoisotopic Mass: 180.162648646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 125
- 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: 3.5
- Topological Polar Surface Area: 28.7?2
1H-Imidazole, 2,4-dibutyl- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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