TL;DR: 1H-Imidazole, 2-methyl-1-(phenylmethyl)- (CAS 13750-62-4) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-2-methylimidazole
Also Known As: 1-Benzyl-2-methylimidazole, 1-Benzyl-2-methyl-1H-imidazole, N-Benzyl-2-methylimidazole, 1H-Imidazole, 2-methyl-1-(phenylmethyl)-, Benzylmethylimidazole
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H12N2 |
| Molecular Weight | 172.10005 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.10005 Da |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
| Solubility | 24.7 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | CC1=NC=CN1CC2=CC=CC=C2 |
| InChIKey | FBHPRUXJQNWTEW-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole, 2-methyl-1-(phenylmethyl)-. With a topological polar surface area (TPSA) of 17.8 Ų, 1H-Imidazole, 2-methyl-1-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole, 2-methyl-1-(phenylmethyl)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Imidazole, 2-methyl-1-(phenylmethyl)- is 13750-62-4.
The molecular formula of 1H-Imidazole, 2-methyl-1-(phenylmethyl)- is C11H12N2.
The molecular weight of 1H-Imidazole, 2-methyl-1-(phenylmethyl)- is 172.10005 g/mol.
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