TL;DR: 4-(5-(5-(4-Methyl-1-piperazinyl)-1H-benzimidazol-2-yl)-2-benzoxazolyl)phenol (CAS 126824-05-3) is a chemical compound with molecular formula C25H23N5O2 and molecular weight 425.18518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-benzoxazol-2-yl]phenol
Also Known As: 1-chloro-2-isopentylsulfanyl-ethane, 4-(5-(5-(4-Methyl-1-piperazinyl)-1H-benzimidazol-2-yl)-2-benzoxazolyl)phenol, 4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one, 4-[5-[5-(4-Methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzoxazol-2-yl]phenol, 4-{5-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1,3-benzoxazol-2-yl}phenol
| Molecular Formula | C25H23N5O2 |
| Molecular Weight | 425.18518 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.18518 Da |
| Heavy Atoms | 32 |
| Complexity | 636.0 |
| SMILES | CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)OC(=N5)C6=CC=C(C=C6)O |
| InChIKey | WSKDTDCIZNJXKS-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 4-(5-(5-(4-Methyl-1-piperazinyl)-1H-benzimidazol-2-yl)-2-benzoxazolyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(5-(4-Methyl-1-piperazinyl)-1H-benzimidazol-2-yl)-2-benzoxazolyl)phenol. Following Lipinski's Rule of Five, 4-(5-(5-(4-Methyl-1-piperazinyl)-1H-benzimidazol-2-yl)-2-benzoxazolyl)phenol 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 4-(5-(5-(4-Methyl-1-piperazinyl)-1H-benzimidazol-2-yl)-2-benzoxazolyl)phenol is 126824-05-3.
The molecular formula of 4-(5-(5-(4-Methyl-1-piperazinyl)-1H-benzimidazol-2-yl)-2-benzoxazolyl)phenol is C25H23N5O2.
The molecular weight of 4-(5-(5-(4-Methyl-1-piperazinyl)-1H-benzimidazol-2-yl)-2-benzoxazolyl)phenol is 425.18518 g/mol.
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