| CAS Number | 93782-02-6 |
| Catalog Number | AG01B706(AGN-PC-03JFLS) |
| Chemical Name | 1,4-Dimethyl-2,3-dihydro-1H-imidazol-2-one |
| IUPAC Name | 3,5-dimethyl-1H-imidazol-2-one |
| InChI | InChI=1S/C5H8N2O/c1-4-3-7(2)5(8)6-4/h3H,1-2H3,(H,6,8) |
| InChI Key | HMNBBWXXNYVGPS-UHFFFAOYSA-N |
| MDL Number | MFCD21336077 |
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.1298 |
| SMILES | O=C1NC(C)=CN1C |
| Synonyms | 93782-02-6,
1,4-dimethyl-2,3-dihydro-1H-imidazol-2-one,
2H-Imidazol-2-one, 1,3-dihydro-1,4-dimethyl-,
CHEMBL347001,
SCHEMBL3584096,
SCHEMBL19195182,
ZINC27707620,
AKOS018439968,
Z2587654851,
1,4-dimethyl-1H-imidazol-2(3H)-one,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.132g/mol |
| Monoisotopic Mass | 112.064g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number