| CAS Number | 384351-72-8 |
| Catalog Number | AG0079TQ(AGN-PC-0WB4LB) |
| Chemical Name | 4-Bromo-2-([(1-propyl-1h-benzimidazol-2-yl)amino]methyl)phenol |
| IUPAC Name | 4-bromo-2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenol |
| InChI | InChI=1S/C17H18BrN3O/c1-2-9-21-15-6-4-3-5-14(15)20-17(21)19-11-12-10-13(18)7-8-16(12)22/h3-8,10,22H,2,9,11H2,1H3,(H,19,20) |
| InChI Key | AYHQUMYYTLJGIJ-UHFFFAOYSA-N |
| MDL Number | MFCD02943223 |
| Molecular Formula | C17H18BrN3O |
| Molecular Weight | 360.2483 |
| SMILES | CCCn1c(NCc2cc(Br)ccc2O)nc2c1cccc2 |
| Synonyms | 4-bromo-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol,
384351-72-8,
AC1LQ0P2,
CTK4H9944,
DTXSID80361848,
4-bromo-2-[[(1-propylbenzimidazol-2-yl)amino]methyl]phenol,
CHEMBRDG-BB 6530210,
ZINC1176519,
ZX-CM016756,
MFCD02943223,
STK031104,
AKOS001651681,
MCULE-2827783187,
ACM384351728,
AJ-25081,
EU-0009040,
VU0060937-1,
W-9870,
4-Bromo-2-(((1-propyl-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol,
CID1341123,
4-bromo-2-[[(1-propylbenzoimidazol-2-yl)amino]methyl]phenol,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.255g/mol |
| Monoisotopic Mass | 359.063g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number