TL;DR: 4-(1H-benzimidazol-1-ylmethyl)benzaldehyde (CAS 118001-88-0) is a chemical compound with molecular formula C15H12N2O and molecular weight 236.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(benzimidazol-1-ylmethyl)benzaldehyde
Also Known As: 4-(1H-benzimidazol-1-ylmethyl)benzaldehyde, 4-(benzimidazol-1-ylmethyl)benzaldehyde, 1-(4'-formylbenzyl)benzimidazole, 4-(benzimidazolylmethyl)benzaldehyde, 4-Benzoimidazol-1-ylmethyl-benzaldehyde
| Molecular Formula | C15H12N2O |
| Molecular Weight | 236.09496 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.09496 Da |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
| SMILES | C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)C=O |
| InChIKey | BSRNAEAEMHMUNW-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-benzimidazol-1-ylmethyl)benzaldehyde. With a topological polar surface area (TPSA) of 34.9 Ų, 4-(1H-benzimidazol-1-ylmethyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-benzimidazol-1-ylmethyl)benzaldehyde has 0 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 4-(1H-benzimidazol-1-ylmethyl)benzaldehyde is 118001-88-0.
The molecular formula of 4-(1H-benzimidazol-1-ylmethyl)benzaldehyde is C15H12N2O.
The molecular weight of 4-(1H-benzimidazol-1-ylmethyl)benzaldehyde is 236.09496 g/mol.
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