TL;DR: 2-[3-[(4-Chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol (CAS 146578-81-6) is a chemical compound with molecular formula C16H16ClN3O and molecular weight 301.09818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[(4-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol
Also Known As: BAS 00619189, IDI1_020715, AB00091833-01, BRD-K03257404-003-01-4, 2-[3-[(4-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol
| Molecular Formula | C16H16ClN3O |
| Molecular Weight | 301.09818 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.09818 Da |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
| SMILES | C1=CC=C2C(=C1)N(C(=N)N2CC3=CC=C(C=C3)Cl)CCO |
| InChIKey | BDBJVOWIFIUXCB-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-[(4-Chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol. With a topological polar surface area (TPSA) of 50.6 Ų, 2-[3-[(4-Chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-[(4-Chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol 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 2-[3-[(4-Chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol is 146578-81-6.
The molecular formula of 2-[3-[(4-Chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol is C16H16ClN3O.
The molecular weight of 2-[3-[(4-Chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol is 301.09818 g/mol.
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