TL;DR: N-(4-(1H-imidazol-4-yl)-2-nitrophenyl)acetamide (CAS 154164-61-1) is a chemical compound with molecular formula C11H10N4O3 and molecular weight 246.07529 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(1H-imidazol-5-yl)-2-nitrophenyl]acetamide
Also Known As: N-(4-(1H-imidazol-4-yl)-2-nitrophenyl)acetamide, N-[4-(1H-imidazol-4-yl)-2-nitrophenyl]acetamide, N-[4-(1H-imidazol-5-yl)-2-nitrophenyl]acetamide
| Molecular Formula | C11H10N4O3 |
| Molecular Weight | 246.07529 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.07529 Da |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
| SMILES | CC(=O)NC1=C(C=C(C=C1)C2=CN=CN2)[N+](=O)[O-] |
| InChIKey | CNMVOBDYQHOUCH-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-(1H-imidazol-4-yl)-2-nitrophenyl)acetamide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-(1H-imidazol-4-yl)-2-nitrophenyl)acetamide. Following Lipinski's Rule of Five, N-(4-(1H-imidazol-4-yl)-2-nitrophenyl)acetamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(4-(1H-imidazol-4-yl)-2-nitrophenyl)acetamide is 154164-61-1.
The molecular formula of N-(4-(1H-imidazol-4-yl)-2-nitrophenyl)acetamide is C11H10N4O3.
The molecular weight of N-(4-(1H-imidazol-4-yl)-2-nitrophenyl)acetamide is 246.07529 g/mol.
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