TL;DR: 3,5-dichloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide (CAS 116477-82-8) is a chemical compound with molecular formula C19H11Cl2N5O2 and molecular weight 411.029 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dichloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide
Also Known As: 3,5-dichloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide, 3,5-Dichloro-N-(3-cyanobenzo[4,5]imidazo[1,2-a]pyrimidin-2-yl)-2-methoxybenzamide, 3,5-dichloro-N-{12-cyano-1,8,10-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaen-11-yl}-2-methoxybenzamide
| Molecular Formula | C19H11Cl2N5O2 |
| Molecular Weight | 411.029 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.029 Da |
| Heavy Atoms | 28 |
| Complexity | 643.0 |
| SMILES | COC1=C(C=C(C=C1Cl)Cl)C(=O)NC2=NC3=NC4=CC=CC=C4N3C=C2C#N |
| InChIKey | YQMPCZJWUVKKTB-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 3,5-dichloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dichloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide. Following Lipinski's Rule of Five, 3,5-dichloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,5-dichloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide is 116477-82-8.
The molecular formula of 3,5-dichloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide is C19H11Cl2N5O2.
The molecular weight of 3,5-dichloro-N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-methoxybenzamide is 411.029 g/mol.
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