| CAS Number | 85545-61-5 |
| Catalog Number | AG00GQUP |
| Chemical Name | 5-(dimethylamino)-2,3-dihydro-1H-1,3-benzodiazol-2-one |
| IUPAC Name | 5-(dimethylamino)-1,3-dihydrobenzimidazol-2-one |
| InChI | InChI=1S/C9H11N3O/c1-12(2)6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,1-2H3,(H2,10,11,13) |
| InChI Key | NKILMMMBFKZKGE-UHFFFAOYSA-N |
| MDL Number | MFCD18814474 |
| Molecular Formula | C9H11N3O |
| Molecular Weight | 177.2031 |
| SMILES | CN(C1=CC2=C(NC(N2)=O)C=C1)C |
| Synonyms | 5-(dimethylamino)-1H-benzo[d]imidazol-2(3H)-one,
85545-61-5,
SCHEMBL12138257,
2H-Benzimidazol-2-one, 5-(dimethylamino)-1,3-dihydro- (9CI),
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.207g/mol |
| Monoisotopic Mass | 177.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Lot Number