| CAS Number | 58878-84-5 |
| Catalog Number | AG00IAGT(AGN-PC-00O062) |
| Chemical Name | 5-Bromo-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one |
| IUPAC Name | 6-bromo-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride |
| InChI | InChI=1S/C12H14BrN3O.ClH/c13-8-1-2-11-10(7-8)15-12(17)16(11)9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2,(H,15,17);1H |
| InChI Key | RYETYOFPXYOAIX-UHFFFAOYSA-N |
| MDL Number | MFCD16621681 |
| Molecular Formula | C12H14BrN3O |
| Molecular Weight | 296.1631 |
| SMILES | Cl.BrC1=CC=C2N(C3CCNCC3)C(=O)NC2=C1 |
| Synonyms | 58878-84-5,
5-Bromo-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one HCl,
5-Bromo-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride,
MFCD16621681,
AS-44770,
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| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.626g/mol |
| Monoisotopic Mass | 331.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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