TL;DR: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile (CAS 1008903-85-2) is a chemical compound with molecular formula C29H24N6O3S and molecular weight 536.1631 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(1H-benzimidazol-2-yl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
Also Known As: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile, (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(3-(3-(morpholinosulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile
| Molecular Formula | C29H24N6O3S |
| Molecular Weight | 536.1631 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.1631 Da |
| Heavy Atoms | 39 |
| Complexity | 1030.0 |
| SMILES | C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3/C=C(\C#N)/C4=NC5=CC=CC=C5N4)C6=CC=CC=C6 |
| InChIKey | NLGOLPABHFIGCP-OQKWZONESA-N |
The XLogP value of 3.7 indicates that (E)-2-(1H-benzimidazol-2-yl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(1H-benzimidazol-2-yl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, (E)-2-(1H-benzimidazol-2-yl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-2-(1H-benzimidazol-2-yl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile is 1008903-85-2.
The molecular formula of (E)-2-(1H-benzimidazol-2-yl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile is C29H24N6O3S.
The molecular weight of (E)-2-(1H-benzimidazol-2-yl)-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile is 536.1631 g/mol.
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