| CAS Number | 374730-72-0 |
| Catalog Number | AG00IZPO(AGN-PC-0RDYYI) |
| Chemical Name | 6-Methyl-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride |
| IUPAC Name | 5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrochloride |
| InChI | InChI=1S/C13H17N3O.ClH/c1-9-2-3-11-12(8-9)16(13(17)15-11)10-4-6-14-7-5-10;/h2-3,8,10,14H,4-7H2,1H3,(H,15,17);1H |
| InChI Key | QQLSKPUVXLNVAH-UHFFFAOYSA-N |
| MDL Number | MFCD18157652 |
| Molecular Formula | C13H18ClN3O |
| Molecular Weight | 267.7545 |
| SMILES | Cl.O=C1(N(C2(=CC(C)=CC=C2(N1)))C3(CCNCC3)) |
| Synonyms | 6-methyl-1-(piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride,
374730-72-0,
6-Methyl-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride,
SCHEMBL4635789,
CTK6C0438,
QQLSKPUVXLNVAH-UHFFFAOYSA-N,
MFCD18157652,
AKOS015844759,
HE-0046,
MCULE-8733070771,
RP15020,
KS-000026L8,
TR-071814,
methylpiperidinyldihydrobenzodiazolonehydrochloride,
6-METHYL-1-(PIPERIDIN-4-YL)-1H-BENZO[D] IMIDAZOL-2(3H)-ONE HCL,
6-methyl-1-(piperidin-4-yl)-3H-1,3-benzodiazol-2-one hydrochloride,
6-methyl-1-(4-piperidinyl)-1,3-dihydro-2h-benzimidazol-2-one hydrochloride salt,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.757g/mol |
| Monoisotopic Mass | 267.114g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number