TL;DR: (2Z)-N-[2-(1H-13-BENZODIAZOL-2-YL)ETHYL]-3-(4-CHLOROPHENYL)-2-[(2-METHOXYPHENYL)FORMAMIDO]PROP-2-ENAMIDE (CAS 696626-40-1) is a chemical compound with molecular formula C26H23ClN4O3 and molecular weight 474.14587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(Z)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
Also Known As: (2Z)-N-[2-(1H-13-BENZODIAZOL-2-YL)ETHYL]-3-(4-CHLOROPHENYL)-2-[(2-METHOXYPHENYL)FORMAMIDO]PROP-2-ENAMIDE, (Z)-N-(3-((2-(1H-benzo[d]imidazol-2-yl)ethyl)amino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl)-2-methoxybenzamide, N-[(1Z)-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide, N-[(Z)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide, N-[1-({[2-(1H-benzimidazol-2-yl)ethyl]amino}carbonyl)-2-(4-chlorophenyl)vinyl]-2-methoxybenzamide
| Molecular Formula | C26H23ClN4O3 |
| Molecular Weight | 474.14587 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 96.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.14587 Da |
| Heavy Atoms | 34 |
| Complexity | 725.0 |
| SMILES | COC1=CC=CC=C1C(=O)N/C(=C\C2=CC=C(C=C2)Cl)/C(=O)NCCC3=NC4=CC=CC=C4N3 |
| InChIKey | KYEAFULETUXFHW-JWGURIENSA-N |
The XLogP value of 4.8 indicates that (2Z)-N-[2-(1H-13-BENZODIAZOL-2-YL)ETHYL]-3-(4-CHLOROPHENYL)-2-[(2-METHOXYPHENYL)FORMAMIDO]PROP-2-ENAMIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-N-[2-(1H-13-BENZODIAZOL-2-YL)ETHYL]-3-(4-CHLOROPHENYL)-2-[(2-METHOXYPHENYL)FORMAMIDO]PROP-2-ENAMIDE. Following Lipinski's Rule of Five, (2Z)-N-[2-(1H-13-BENZODIAZOL-2-YL)ETHYL]-3-(4-CHLOROPHENYL)-2-[(2-METHOXYPHENYL)FORMAMIDO]PROP-2-ENAMIDE has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2Z)-N-[2-(1H-13-BENZODIAZOL-2-YL)ETHYL]-3-(4-CHLOROPHENYL)-2-[(2-METHOXYPHENYL)FORMAMIDO]PROP-2-ENAMIDE is 696626-40-1.
The molecular formula of (2Z)-N-[2-(1H-13-BENZODIAZOL-2-YL)ETHYL]-3-(4-CHLOROPHENYL)-2-[(2-METHOXYPHENYL)FORMAMIDO]PROP-2-ENAMIDE is C26H23ClN4O3.
The molecular weight of (2Z)-N-[2-(1H-13-BENZODIAZOL-2-YL)ETHYL]-3-(4-CHLOROPHENYL)-2-[(2-METHOXYPHENYL)FORMAMIDO]PROP-2-ENAMIDE is 474.14587 g/mol.
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