| CAS Number | 1193390-36-1 |
| Catalog Number | AG019W78 |
| Chemical Name | 5-(piperazine-1-carbonyl)-1H-1,3-benzodiazole dihydrochloride |
| IUPAC Name | 3H-benzimidazol-5-yl(piperazin-1-yl)methanone;dihydrochloride |
| InChI | InChI=1S/C12H14N4O.2ClH/c17-12(16-5-3-13-4-6-16)9-1-2-10-11(7-9)15-8-14-10;;/h1-2,7-8,13H,3-6H2,(H,14,15);2*1H |
| InChI Key | JSFMKPDDFWBXQG-UHFFFAOYSA-N |
| MDL Number | MFCD12912889 |
| Molecular Formula | C12H16Cl2N4O |
| Molecular Weight | 303.1876 |
| SMILES | Cl.Cl.O=C(C1=CC2=C(NC=N2)C=C1)N1CCNCC1 |
| Synonyms | 5-(piperazine-1-carbonyl)-1H-1,3-benzodiazole dihydrochloride,
1193390-36-1,
5-(piperazin-1-ylcarbonyl)-1H-1,3-benzodiazole dihydrochloride,
AC1Q3B04,
CTK7F7613,
MCULE-4507664983,
NE24688,
EN300-50921,
Z752370832,
5-[(piperazin-1-yl)carbonyl]-1H-1,3-benzodiazole dihydrochloride,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.187g/mol |
| Monoisotopic Mass | 302.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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