TL;DR: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione (CAS 386764-67-6) is a chemical compound with molecular formula C20H15FN4O3 and molecular weight 378.11282 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(benzimidazol-2-ylidenemethyl)-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione, (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-3-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4(3H,5H)-dione, (Z)-5-((1H-benzo[d]imidazol-2-yl)methylene)-1-(4-fluorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(1H-benzimidazol-2-ylmethylidene)-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H15FN4O3 |
| Molecular Weight | 378.11282 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 94.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.11282 Da |
| Heavy Atoms | 28 |
| Complexity | 859.0 |
| SMILES | C1=CC2=NC(=CC3=C(N(C(=O)NC3=O)CCC4=CC=C(C=C4)F)O)N=C2C=C1 |
| InChIKey | LEAIGCYLNOSMCC-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione is 386764-67-6.
The molecular formula of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione is C20H15FN4O3.
The molecular weight of (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-1-[2-(4-fluorophenyl)ethyl]-1,3-diazinane-2,4,6-trione is 378.11282 g/mol.
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