| CAS Number | 36339-13-6 |
| Catalog Number | AG01AS3O(AGN-PC-0O9C87) |
| Chemical Name | 1H-Benzimidazolium, 1,3-bis(phenylmethyl)-, chloride |
| IUPAC Name | 1,3-dibenzylbenzimidazol-3-ium;chloride |
| InChI | InChI=1S/C21H19N2.ClH/c1-3-9-18(10-4-1)15-22-17-23(16-19-11-5-2-6-12-19)21-14-8-7-13-20(21)22;/h1-14,17H,15-16H2;1H/q+1;/p-1 |
| InChI Key | CSFOFEZIBMHEPB-UHFFFAOYSA-M |
| MDL Number | MFCD03320328 |
| Molecular Formula | C21H19ClN2 |
| Molecular Weight | 334.8420 |
| SMILES | N(C=[N+]1CC2=CC=CC=C2)(C3=CC=CC=C31)CC4=CC=CC=C4.[Cl-] |
| Synonyms | 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride,
36339-13-6,
1,3-dibenzyl-1H-1,3-benzodiazol-3-ium chloride,
MLS001201576,
SMR000640974,
AC1MGCGQ,
CHEMBL1347742,
HMS2962O03,
1,3-dibenzylbenzimidazolium chloride,
AKOS003305023,
MCULE-9487445123,
1,3-dibenzylbenzimidazol-3-ium chloride,
F0854-0034,
1,3-dibenzylbenzoimidazole Chloride,
CID2933784,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.847g/mol |
| Monoisotopic Mass | 334.124g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 8.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number