Cas no 78892-77-0 (Methanone,1H-imidazol-5-yl(4-methylphenyl)-)
78892-77-0 structure
Product Name:Methanone,1H-imidazol-5-yl(4-methylphenyl)-
CAS No:78892-77-0
MF:C11H10N2O
MW:186.20990228653
CID:562517
PubChem ID:4314124
Update Time:2025-04-19
Methanone,1H-imidazol-5-yl(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone,1H-imidazol-5-yl(4-methylphenyl)-
- (1H-IMIDAZOL-4-YL)-P-TOLYL-METHANONE
- 4-CPI
- 4-p-Chlorophenylimidazole
- AKOS006274257
- FT-0691076
- 78892-77-0
- 1H-imidazol-5-yl-(4-methylphenyl)methanone
- (1H-Imidazol-4-yl)(p-tolyl)methanone
- SCHEMBL11051578
-
- Inchi： 1S/C11H10N2O/c1-8-2-4-9(5-3-8)11(14)10-6-12-7-13-10/h2-7H,1H3,(H,12,13)
- InChI Key： JJACNNVFZULNKR-UHFFFAOYSA-N
- SMILES： O=C(C1=CN=CN1)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 186.07900
- Monoisotopic Mass: 186.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 209
- 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: 2.1
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 45.75000
- LogP: 1.94910
Methanone,1H-imidazol-5-yl(4-methylphenyl)- Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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