| CAS Number | 1311143-71-1 |
| Catalog Number | AG009VT4 |
| Chemical Name | JH295 |
| IUPAC Name | N-[(3Z)-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-5-yl]prop-2-ynamide |
| InChI | InChI=1S/C18H16N4O2/c1-4-16-19-10(3)15(21-16)9-13-12-8-11(20-17(23)5-2)6-7-14(12)22-18(13)24/h2,6-9H,4H2,1,3H3,(H,19,21)(H,20,23)(H,22,24)/b13-9- |
| InChI Key | ORKOHXAJFGRZCL-LCYFTJDESA-N |
| MDL Number | MFCD31382532 |
| Molecular Formula | C18H16N4O2 |
| Molecular Weight | 320.3452 |
| SMILES | C(NC1C=CC2=C(C=1)/C(=C/C1NC(CC)=NC=1C)/C(=O)N2)(=O)C#C |
| Synonyms | JH 295,
JH-295,
JH295 cpd,
N-(3-((2-ethyl-4-methyl-1H-imidazol-5-yl)methylene)-2-oxoindolin-5-yl)propiolamide,
CHEMBL1802870,
1311143-71-1,
JH 295,
SCHEMBL18076602,
SCHEMBL18076603,
JH295,
BDBM50347863,
AKOS032949707,
3-[(2-Ethyl-4-methyl-1H-imidazole)-5-ylmethylene]-5-[(1-oxo-2-propynyl)amino]-1H-indole-2(3H)-one,
N-[(3Z)-3-[(2-Ethyl-4-methyl-1H-imidazol-5-yl)methylene]-2,3-dihydro-2-oxo-1H-indol-5-yl]-2-propynamide,
JH295 cpd,
ORKOHXAJFGRZCL-LCYFTJDESA-N,
JH-295,
C561054,
N-(3-((2-ethyl-4-methyl-1H-imidazol-5-yl)methylene)-2-oxoindolin-5-yl)propiolamide,
|
| Complexity | 605 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 320.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.352g/mol |
| Monoisotopic Mass | 320.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number