| CAS Number | 1426290-55-2 |
| Catalog Number | AG01ARYQ(AGN-PC-0WCNQZ) |
| Chemical Name | 1-methyl-2-(piperazin-1-yl)-1H-1,3-benzodiazole dihydrochloride |
| IUPAC Name | 1-methyl-2-piperazin-1-ylbenzimidazole;dihydrochloride |
| InChI | InChI=1S/C12H16N4.2ClH/c1-15-11-5-3-2-4-10(11)14-12(15)16-8-6-13-7-9-16;;/h2-5,13H,6-9H2,1H3;2*1H |
| InChI Key | FKWSVTABAJECJH-UHFFFAOYSA-N |
| MDL Number | MFCD24387578 |
| Molecular Formula | C12H18Cl2N4 |
| Molecular Weight | 289.2041 |
| SMILES | Cl.Cl.CN1C2=C(C=CC=C2)N=C1N1CCNCC1 |
| Synonyms | 1-methyl-2-piperazin-1-yl-1H-benzimidazole dihydrochloride,
1426290-55-2,
F2145-0457,
1-methyl-2-piperazin-1-yl-1H-benzimidazole dihydrocloride,
AKOS026676904,
MCULE-8453307132,
L-3947,
1-methyl-2-piperazin-1-ylbenzimidazole;dihydrochloride,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.204g/mol |
| Monoisotopic Mass | 288.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number