| CAS Number | 1356781-02-6 |
| Catalog Number | AG019RSY |
| Chemical Name | 6-[5-Fluoro-1-(propan-2-yl)-2,3-dihydro-1h-1,3-benzodiazol-2-ylidene]-2-methylcyclohexa-2,4-dien-1-imine |
| IUPAC Name | 2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline |
| InChI | InChI=1S/C17H18FN3/c1-10(2)21-15-8-7-12(18)9-14(15)20-17(21)13-6-4-5-11(3)16(13)19/h4-10H,19H2,1-3H3 |
| InChI Key | YGMGYFROAAHZKJ-UHFFFAOYSA-N |
| MDL Number | MFCD28155312 |
| Molecular Formula | C17H18FN3 |
| Molecular Weight | 283.3433 |
| SMILES | CC(N1C2=C(C=C(C=C2)F)NC1=C1C(=N)C(C)=CC=C1)C |
| Synonyms | 1356781-02-6,
6-[5-fluoro-1-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-2-methylcyclohexa-2,4-dien-1-imine,
2-[5-fluoro-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]-6-methylaniline,
ZINC37439710,
ZINC100647633,
ZINC102540841,
MCULE-3602941810,
NE20462,
EN300-90382,
Z1262398515,
2-(5-fluoro-1-isopropyl-1H-benzimidazol-2-yl)-6-methylaniline,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.35g/mol |
| Monoisotopic Mass | 283.148g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number