TL;DR: 1H-Imidazole-1,2-dicarboxamide, N(sup 1)-(4-chlorophenyl)-N(sup 2)-phenyl- (CAS 139109-17-4) is a chemical compound with molecular formula C17H13ClN4O2 and molecular weight 340.0727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N-(4-chlorophenyl)-2-N-phenylimidazole-1,2-dicarboxamide
Also Known As: N(sup 1)-(4-Chlorophenyl)-N(sup 2)-phenyl-1H-imidazole-1,2-dicarboxamide, 1-(N-p-Chlorophenyl)-2-(N-phenyl)imidazole-1,2-dicarboxamide, 1H-Imidazole-1,2-dicarboxamide, N(sup 1)-(4-chlorophenyl)-N(sup 2)-phenyl-, 1-N-(4-chlorophenyl)-2-N-phenylimidazole-1,2-dicarboxamide, N~1~-(4-Chlorophenyl)-N~2~-phenyl-1H-imidazole-1,2-dicarboxamide
| Molecular Formula | C17H13ClN4O2 |
| Molecular Weight | 340.0727 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.0727 Da |
| Heavy Atoms | 24 |
| Complexity | 448.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)C2=NC=CN2C(=O)NC3=CC=C(C=C3)Cl |
| InChIKey | KYYUBJQYGBKSEN-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1H-Imidazole-1,2-dicarboxamide, N(sup 1)-(4-chlorophenyl)-N(sup 2)-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-1,2-dicarboxamide, N(sup 1)-(4-chlorophenyl)-N(sup 2)-phenyl-. Following Lipinski's Rule of Five, 1H-Imidazole-1,2-dicarboxamide, N(sup 1)-(4-chlorophenyl)-N(sup 2)-phenyl- 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 1H-Imidazole-1,2-dicarboxamide, N(sup 1)-(4-chlorophenyl)-N(sup 2)-phenyl- is 139109-17-4.
The molecular formula of 1H-Imidazole-1,2-dicarboxamide, N(sup 1)-(4-chlorophenyl)-N(sup 2)-phenyl- is C17H13ClN4O2.
The molecular weight of 1H-Imidazole-1,2-dicarboxamide, N(sup 1)-(4-chlorophenyl)-N(sup 2)-phenyl- is 340.0727 g/mol.
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