TL;DR: 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride (CAS 1049721-30-3) is a chemical compound with molecular formula C16H19ClN4O and molecular weight 318.12473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]benzimidazol-2-one;hydrochloride
Also Known As: 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride, 1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]benzimidazol-2-one hydrochloride, 1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]benzoimidazol-2-one Hydrochloride
| Molecular Formula | C16H19ClN4O |
| Molecular Weight | 318.12473 g/mol |
| XLogP | 1.9836 |
| Topological Polar Surface Area (TPSA) | 48.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.12473 Da |
| Heavy Atoms | 22 |
| Complexity | 375.0 |
| SMILES | CN1C2=C(C=C(C=C2)CNCC3=CN=CC=C3)N(C1=O)C.Cl |
| InChIKey | XJDMKQCXEMDQIU-UHFFFAOYSA-N |
The XLogP value of 1.9836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride. With a topological polar surface area (TPSA) of 48.5 Ų, 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride is 1049721-30-3.
The molecular formula of 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride is C16H19ClN4O.
The molecular weight of 1,3-dimethyl-5-(((pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-one hydrochloride is 318.12473 g/mol.
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