| CAS Number | 1349708-62-8 |
| Catalog Number | AG00HTT0(AGN-PC-0WB6W7) |
| Chemical Name | 2-(2-Propyl-1H-benzimidazol-1-yl)butanoic acid hydrochloride |
| IUPAC Name | 2-(2-propylbenzimidazol-1-yl)butanoic acid;hydrochloride |
| InChI | InChI=1S/C14H18N2O2.ClH/c1-3-7-13-15-10-8-5-6-9-12(10)16(13)11(4-2)14(17)18;/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,17,18);1H |
| InChI Key | IEHLVEYXSAAEAZ-UHFFFAOYSA-N |
| MDL Number | MFCD13186249 |
| Molecular Formula | C14H19ClN2O2 |
| Molecular Weight | 282.7659 |
| SMILES | N1(C(CC)C(O)=O)C2=CC=CC=C2N=C1CCC.Cl |
| Synonyms | 2-(2-Propyl-1H-benzimidazol-1-yl)butanoic acid hydrochloride,
1349708-62-8,
ZX-CM005403,
MFCD13186249,
AKOS027386405,
2-(2-Propyl-1H-benzo[d]imidazol-1-yl)butanoic acid hydrochloride,
T3232,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.768g/mol |
| Monoisotopic Mass | 282.114g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number