Cas no 61654-25-9 (4H-Imidazol-4-one, 3,5-dihydro-2,5,5-trimethyl-3-phenyl-)
61654-25-9 structure
Product Name:4H-Imidazol-4-one, 3,5-dihydro-2,5,5-trimethyl-3-phenyl-
CAS No:61654-25-9
MF:C12H14N2O
MW:202.252362728119
CID:471302
PubChem ID:21674416
Update Time:2025-04-19
4H-Imidazol-4-one, 3,5-dihydro-2,5,5-trimethyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Imidazol-4-one, 3,5-dihydro-2,5,5-trimethyl-3-phenyl-
- 2,5,5-trimethyl-3-phenylimidazol-4-one
- 2,5,5-Trimethyl-3-phenyl-3,5-dihydro-4H-imidazol-4-one
- DTXSID20616728
- 2,4,4-trimethyl-1-phenyl-2-imidazolin-5-one
- 61654-25-9
- 2,4,4-Trimethyl-1-phenyl-1H-imidazol-5(4H)-one
-
- Inchi： 1S/C12H14N2O/c1-9-13-12(2,3)11(15)14(9)10-7-5-4-6-8-10/h4-8H,1-3H3
- InChI Key： RTNXDGKUNIVMPK-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)N=C(C)N1C1C=CC=CC=1
Computed Properties
- Exact Mass: 202.11072
- Monoisotopic Mass: 202.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 301
- 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: 1.5
- Topological Polar Surface Area: 32.7?2
Experimental Properties
- PSA: 32.67
4H-Imidazol-4-one, 3,5-dihydro-2,5,5-trimethyl-3-phenyl- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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