| CAS Number | 1706524-94-8 |
| Catalog Number | AG01ENNK(AGN-PC-3H460D) |
| Chemical Name | 2-[2-[2-(5-Bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-2-1H-imidazolehydrochloride |
| IUPAC Name | 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;hydrochloride |
| InChI | InChI=1S/C18H18BrFN2O.ClH/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18;/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,21,22);1H |
| InChI Key | KZUMGPQDDCBFBF-UHFFFAOYSA-N |
| MDL Number | MFCD06824183 |
| Molecular Formula | C18H19BrClFN2O |
| Molecular Weight | 413.7117 |
| SMILES | BrC1=CC=C(OC)C(CCC2=C(F)C=CC=C2C3=NCCN3)=C1.Cl |
| Synonyms | ML 00253764 hydrochloride,
681847-92-7,
1706524-94-8,
C18H18BrFN2O.HCl,
ML00253764 hydrochloride,
AOB2853,
SYN5200,
AKOS024458378,
AS-16559,
ML 00253764 hydrochloride, >=98% (HPLC),
2-[2-[2-(5-Bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-2-1H-imidazole hydrochloride,
2-[2-[2-(5-Bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydro-2-1H-imidazolehydrochloride,
KZUMGPQDDCBFBF-UHFFFAOYSA-N,
|
| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 412.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 413.715g/mol |
| Monoisotopic Mass | 412.035g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 33.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number