TL;DR: 2-{[(1-methyl-1H-benzimidazol-5-yl)amino]methyl}phenol (CAS 328559-17-7) is a chemical compound with molecular formula C15H15N3O and molecular weight 253.1215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol
Also Known As: BAS 02255477, 2-{[(1-methyl-1H-benzimidazol-5-yl)amino]methyl}phenol, 2-[(1-Methyl-1H-benzoimidazol-5-ylamino)-methyl]-phenol, 2-[[(1-methylbenzimidazol-5-yl)amino]methyl]phenol, 2-[[(1-methylbenzimidazol-5-yl)azaniumyl]methyl]phenolate
| Molecular Formula | C15H15N3O |
| Molecular Weight | 253.1215 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.1215 Da |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
| SMILES | CN1C=NC2=C1C=CC(=C2)NCC3=CC=CC=C3O |
| InChIKey | UHNRFTCYJGXBEY-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(1-methyl-1H-benzimidazol-5-yl)amino]methyl}phenol. With a topological polar surface area (TPSA) of 50.1 Ų, 2-{[(1-methyl-1H-benzimidazol-5-yl)amino]methyl}phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(1-methyl-1H-benzimidazol-5-yl)amino]methyl}phenol 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 2-{[(1-methyl-1H-benzimidazol-5-yl)amino]methyl}phenol is 328559-17-7.
The molecular formula of 2-{[(1-methyl-1H-benzimidazol-5-yl)amino]methyl}phenol is C15H15N3O.
The molecular weight of 2-{[(1-methyl-1H-benzimidazol-5-yl)amino]methyl}phenol is 253.1215 g/mol.
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