TL;DR: 1-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenyl)methyl)-3-methyl-1H-benzimidazolium bromide, monohydrobromide (CAS 123509-92-2) is a chemical compound with molecular formula C21H26Br2N6 and molecular weight 520.0586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[(E)-[4-[(3-methylbenzimidazol-3-ium-1-yl)methyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide;bromide;hydrobromide
Also Known As: 1-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenyl)methyl)-3-methyl-1H-benzimidazolium bromide, monohydrobromide
| Molecular Formula | C21H26Br2N6 |
| Molecular Weight | 520.0586 g/mol |
| XLogP | -0.1596 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.0586 Da |
| Heavy Atoms | 29 |
| Complexity | 533.0 |
| SMILES | C[N+]1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)/C=N/N=C(\N)/N4CCCC4.Br.[Br-] |
| InChIKey | YBWKCFDNGMPCLR-PQZUSRQGSA-M |
The XLogP value of -0.1596 indicates that 1-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenyl)methyl)-3-methyl-1H-benzimidazolium bromide, monohydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenyl)methyl)-3-methyl-1H-benzimidazolium bromide, monohydrobromide. Following Lipinski's Rule of Five, 1-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenyl)methyl)-3-methyl-1H-benzimidazolium bromide, monohydrobromide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenyl)methyl)-3-methyl-1H-benzimidazolium bromide, monohydrobromide is 123509-92-2.
The molecular formula of 1-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenyl)methyl)-3-methyl-1H-benzimidazolium bromide, monohydrobromide is C21H26Br2N6.
The molecular weight of 1-((4-(((Imino-1-pyrrolidinylmethyl)hydrazono)methyl)phenyl)methyl)-3-methyl-1H-benzimidazolium bromide, monohydrobromide is 520.0586 g/mol.
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