TL;DR: (E)-3-(3-(3-((2-fluorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)-2-(1-methyl-1H-benzo[d]imidazol-2-yl)acrylonitrile (CAS 1009770-31-3) is a chemical compound with molecular formula C33H24FN5O and molecular weight 525.1965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
Also Known As: (E)-3-(3-(3-((2-fluorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)-2-(1-methyl-1H-benzo[d]imidazol-2-yl)acrylonitrile, (E)-3-[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
| Molecular Formula | C33H24FN5O |
| Molecular Weight | 525.1965 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.1965 Da |
| Heavy Atoms | 40 |
| Complexity | 914.0 |
| SMILES | CN1C2=CC=CC=C2N=C1/C(=C/C3=CN(N=C3C4=CC(=CC=C4)OCC5=CC=CC=C5F)C6=CC=CC=C6)/C#N |
| InChIKey | IFGIZIDZZLCRNT-XIEYBQDHSA-N |
The XLogP value of 6.5 indicates that (E)-3-(3-(3-((2-fluorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)-2-(1-methyl-1H-benzo[d]imidazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-(3-((2-fluorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)-2-(1-methyl-1H-benzo[d]imidazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-(3-(3-((2-fluorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)-2-(1-methyl-1H-benzo[d]imidazol-2-yl)acrylonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-3-(3-(3-((2-fluorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)-2-(1-methyl-1H-benzo[d]imidazol-2-yl)acrylonitrile is 1009770-31-3.
The molecular formula of (E)-3-(3-(3-((2-fluorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)-2-(1-methyl-1H-benzo[d]imidazol-2-yl)acrylonitrile is C33H24FN5O.
The molecular weight of (E)-3-(3-(3-((2-fluorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)-2-(1-methyl-1H-benzo[d]imidazol-2-yl)acrylonitrile is 525.1965 g/mol.
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