TL;DR: N-(4-ethoxyphenyl)-N-(1-methyl-1H-benzimidazol-2-yl)amine (CAS 631843-11-3) is a chemical compound with molecular formula C16H17N3O and molecular weight 267.13718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-ethoxyphenyl)-1-methylbenzimidazol-2-amine
Also Known As: N-(4-ethoxyphenyl)-1-methylbenzimidazol-2-amine, N-(4-ethoxyphenyl)-N-(1-methyl-1H-benzimidazol-2-yl)amine, (4-ethoxyphenyl)(1-methylbenzimidazol-2-yl)amine, AF-399/42487656, N-(4-ethoxyphenyl)-1-methyl-1H-benzimidazol-2-amine
| Molecular Formula | C16H17N3O |
| Molecular Weight | 267.13718 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 39.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.13718 Da |
| Heavy Atoms | 20 |
| Complexity | 304.0 |
| SMILES | CCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N2C |
| InChIKey | IQRCQWAVMMRIDB-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that N-(4-ethoxyphenyl)-N-(1-methyl-1H-benzimidazol-2-yl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.1 Ų, N-(4-ethoxyphenyl)-N-(1-methyl-1H-benzimidazol-2-yl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-ethoxyphenyl)-N-(1-methyl-1H-benzimidazol-2-yl)amine has 1 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 N-(4-ethoxyphenyl)-N-(1-methyl-1H-benzimidazol-2-yl)amine is 631843-11-3.
The molecular formula of N-(4-ethoxyphenyl)-N-(1-methyl-1H-benzimidazol-2-yl)amine is C16H17N3O.
The molecular weight of N-(4-ethoxyphenyl)-N-(1-methyl-1H-benzimidazol-2-yl)amine is 267.13718 g/mol.
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