TL;DR: 5-((butylamino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one hydrochloride (CAS 1050208-46-2) is a chemical compound with molecular formula C14H22ClN3O and molecular weight 283.14514 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(butylaminomethyl)-1,3-dimethylbenzimidazol-2-one;hydrochloride
Also Known As: 5-(butylaminomethyl)-1,3-dimethyl-benzoimidazol-2-one Hydrochloride, 5-(butylaminomethyl)-1,3-dimethylbenzimidazol-2-one hydrochloride, 5-((butylamino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one hydrochloride, 5-[(butylamino)methyl]-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one hydrochloride
| Molecular Formula | C14H22ClN3O |
| Molecular Weight | 283.14514 g/mol |
| XLogP | 2.1885 |
| Topological Polar Surface Area (TPSA) | 35.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.14514 Da |
| Heavy Atoms | 19 |
| Complexity | 295.0 |
| SMILES | CCCCNCC1=CC2=C(C=C1)N(C(=O)N2C)C.Cl |
| InChIKey | NDLCOALOABGUOP-UHFFFAOYSA-N |
The XLogP value of 2.1885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((butylamino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one hydrochloride. With a topological polar surface area (TPSA) of 35.6 Ų, 5-((butylamino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((butylamino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one hydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-((butylamino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one hydrochloride is 1050208-46-2.
The molecular formula of 5-((butylamino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one hydrochloride is C14H22ClN3O.
The molecular weight of 5-((butylamino)methyl)-1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-one hydrochloride is 283.14514 g/mol.
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