| CAS Number | 1185692-43-6 |
| Catalog Number | AG00J0Z3 |
| Chemical Name | 5-methyl-2-(pyrrolidin-2-yl)-1H-1,3-benzodiazole dihydrochloride |
| IUPAC Name | 6-methyl-2-pyrrolidin-2-yl-1H-benzimidazole;dihydrochloride |
| InChI | InChI=1S/C12H15N3.2ClH/c1-8-4-5-9-11(7-8)15-12(14-9)10-3-2-6-13-10;;/h4-5,7,10,13H,2-3,6H2,1H3,(H,14,15);2*1H |
| InChI Key | ZRLJKCZRAZUINA-UHFFFAOYSA-N |
| MDL Number | MFCD14705876 |
| Molecular Formula | C12H17Cl2N3 |
| Molecular Weight | 274.1895 |
| SMILES | Cl.Cl.CC1=CC2=C(NC(=N2)C2NCCC2)C=C1 |
| Synonyms | 5-methyl-2-(pyrrolidin-2-yl)-1H-1,3-benzodiazole dihydrochloride,
1185692-43-6,
5-Methyl-2-pyrrolidin-2-yl-1H-benzimidazole dihydrochloride,
6-methyl-2-(2-pyrrolidinyl)-1h-benzimidazole dihydrochloride,
F2101-0208,
AC1Q3A7X,
CTK6C0456,
MFCD07781102,
AKOS015888760,
MCULE-4379813781,
NE18930,
EN300-60173,
VU0494693-1,
I01-13816,
Z234895229,
5-methyl-2-(pyrrolidin-2-yl)-1H-benzo[d]imidazole dihydrochloride,
885278-00-2,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.189g/mol |
| Monoisotopic Mass | 273.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number