| CAS Number | 1049751-43-0 |
| Catalog Number | AG00J3CP(AGN-PC-0WBE4I) |
| Chemical Name | 2-(2-pyrrolidinyl)-1H-benzimidazole dihydrochloride |
| IUPAC Name | 2-pyrrolidin-2-yl-1H-benzimidazole;dihydrochloride |
| InChI | InChI=1S/C11H13N3.2ClH/c1-2-5-9-8(4-1)13-11(14-9)10-6-3-7-12-10;;/h1-2,4-5,10,12H,3,6-7H2,(H,13,14);2*1H |
| InChI Key | CPYWWIVISUIUSH-UHFFFAOYSA-N |
| MDL Number | MFCD06407422 |
| Molecular Formula | C11H15Cl2N3 |
| Molecular Weight | 260.1629 |
| SMILES | C1(C2CCCN2)NC2=C(C=CC=C2)N=1.Cl.Cl |
| Synonyms | 2-pyrrolidin-2-yl-1H-benzimidazole dihydrochloride,
1049751-43-0,
59592-35-7,
2-(pyrrolidin-2-yl)-1H-benzo[d]imidazole dihydrochloride,
F3000-0080,
AC1Q3A47,
MFCD06407422,
AKOS026234977,
MCULE-7739198641,
EN300-23862,
L-3997,
592P357,
Z166652132,
2-(pyrrolidin-2-yl)-1H-1,3-benzodiazole dihydrochloride,
2-(2-Pyrrolidinyl)-1H-benzimidazole dihydrochloride, AldrichCPR,
2-(2-Pyrrolidinyl)-1H-benzimidazole dihydrochloride,
(S)-2-(PYRROLIDIN-2-YL)-1H-BENZO[D]IMIDAZOLE,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.162g/mol |
| Monoisotopic Mass | 259.064g/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