TL;DR: 1-(2-bromobenzyl)-3-(2-morpholinoethyl)-1H-benzo[d]imidazol-2(3H)-imine hydrobromide (CAS 1052525-16-2) is a chemical compound with molecular formula C20H24Br2N4O and molecular weight 494.03168 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine;hydrobromide
Also Known As: 1-(2-bromobenzyl)-3-(2-morpholinoethyl)-1H-benzo[d]imidazol-2(3H)-imine hydrobromide, 1-[(2-bromophenyl)methyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine hydrobromide, REGID_for_CID_6603641
| Molecular Formula | C20H24Br2N4O |
| Molecular Weight | 494.03168 g/mol |
| XLogP | 3.64317 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.03168 Da |
| Heavy Atoms | 27 |
| Complexity | 484.0 |
| SMILES | C1COCCN1CCN2C3=CC=CC=C3N(C2=N)CC4=CC=CC=C4Br.Br |
| InChIKey | TZFBTBQIHKBCAY-UHFFFAOYSA-N |
The XLogP value of 3.64317 indicates that 1-(2-bromobenzyl)-3-(2-morpholinoethyl)-1H-benzo[d]imidazol-2(3H)-imine hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.8 Ų, 1-(2-bromobenzyl)-3-(2-morpholinoethyl)-1H-benzo[d]imidazol-2(3H)-imine hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-bromobenzyl)-3-(2-morpholinoethyl)-1H-benzo[d]imidazol-2(3H)-imine hydrobromide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2-bromobenzyl)-3-(2-morpholinoethyl)-1H-benzo[d]imidazol-2(3H)-imine hydrobromide is 1052525-16-2.
The molecular formula of 1-(2-bromobenzyl)-3-(2-morpholinoethyl)-1H-benzo[d]imidazol-2(3H)-imine hydrobromide is C20H24Br2N4O.
The molecular weight of 1-(2-bromobenzyl)-3-(2-morpholinoethyl)-1H-benzo[d]imidazol-2(3H)-imine hydrobromide is 494.03168 g/mol.
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