| CAS Number | 900641-20-5 |
| Catalog Number | AG019N69 |
| Chemical Name | 5-(Piperazin-1-ylsulfonyl)-1,3-dihydro-2h-benzimidazol-2-one |
| IUPAC Name | 5-piperazin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one |
| InChI | InChI=1S/C11H14N4O3S/c16-11-13-9-2-1-8(7-10(9)14-11)19(17,18)15-5-3-12-4-6-15/h1-2,7,12H,3-6H2,(H2,13,14,16) |
| InChI Key | WXSIBTCKVIZDLA-UHFFFAOYSA-N |
| MDL Number | MFCD08271816 |
| Molecular Formula | C11H14N4O3S |
| Molecular Weight | 282.3189 |
| SMILES | O=C1NC2=C(C=CC(S(N3CCNCC3)(=O)=O)=C2)N1 |
| Synonyms | 5-(piperazine-1-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one,
900641-20-5,
5-(piperazin-1-ylsulfonyl)-1,3-dihydro-2H-benzimidazol-2-one,
AC1OFM1U,
AC1Q6GRO,
CTK7H0192,
ZINC4219038,
AKOS009041297,
MCULE-4549535672,
NE13798,
EN300-39503,
5-piperazin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one,
CID7131703,
5-piperazin-1-ylsulfonyl-1,3-dihydrobenzoimidazol-2-one,
|
| Complexity | 455 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.318g/mol |
| Monoisotopic Mass | 282.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 98.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number