TL;DR: Benzamide, 5-bromo-4-((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy- (CAS 111049-54-8) is a chemical compound with molecular formula C19H28BrN5O2 and molecular weight 437.14264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide
Also Known As: Benzamide, 5-bromo-4-((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-, 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide, 5-Bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzene-1-carboximidic acid
| Molecular Formula | C19H28BrN5O2 |
| Molecular Weight | 437.14264 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 78.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.14264 Da |
| Heavy Atoms | 27 |
| Complexity | 546.0 |
| SMILES | CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)NC3=NCC(N3)C)Br |
| InChIKey | AXZJATWBNZZIPF-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, 5-bromo-4-((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, 5-bromo-4-((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-. Following Lipinski's Rule of Five, Benzamide, 5-bromo-4-((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy- has 3 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 Benzamide, 5-bromo-4-((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy- is 111049-54-8.
The molecular formula of Benzamide, 5-bromo-4-((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy- is C19H28BrN5O2.
The molecular weight of Benzamide, 5-bromo-4-((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy- is 437.14264 g/mol.
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