TL;DR: (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(p-tolylamino)acrylonitrile (CAS 144581-38-4) is a chemical compound with molecular formula C17H14N4 and molecular weight 274.12186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-(1H-benzimidazol-2-yl)-3-(4-methylanilino)prop-2-enenitrile
Also Known As: (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(p-tolylamino)acrylonitrile, VU0510201-1, 2-(1H-benzo[d]imidazol-2-yl)-3-(4-toluidino)acrylonitrile, (E)-2-(1H-benzimidazol-2-yl)-3-(4-methylanilino)prop-2-enenitrile, F3139-1198
| Molecular Formula | C17H14N4 |
| Molecular Weight | 274.12186 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 64.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.12186 Da |
| Heavy Atoms | 21 |
| Complexity | 427.0 |
| SMILES | CC1=CC=C(C=C1)N/C=C(\C#N)/C2=NC3=CC=CC=C3N2 |
| InChIKey | QBAFHMWHAPQOFG-ACCUITESSA-N |
The XLogP value of 3.9 indicates that (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(p-tolylamino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(p-tolylamino)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(p-tolylamino)acrylonitrile has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(p-tolylamino)acrylonitrile is 144581-38-4.
The molecular formula of (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(p-tolylamino)acrylonitrile is C17H14N4.
The molecular weight of (E)-2-(1H-benzo[d]imidazol-2-yl)-3-(p-tolylamino)acrylonitrile is 274.12186 g/mol.
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