TL;DR: 1-(Benzylideneamino)-4-(4-chlorophenyl)imidazol-2-amine (CAS 1144509-42-1) is a chemical compound with molecular formula C16H13ClN4 and molecular weight 296.0829 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzylideneamino)-4-(4-chlorophenyl)imidazol-2-amine
Also Known As: 1-(benzylideneamino)-4-(4-chlorophenyl)imidazol-2-amine, N-[2-amino-4-(4-chlorophenyl)-1H-imidazol-1-yl]-N-[(E)-phenylmethylidene]amine
| Molecular Formula | C16H13ClN4 |
| Molecular Weight | 296.0829 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0829 Da |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
| SMILES | C1=CC=C(C=C1)C=NN2C=C(N=C2N)C3=CC=C(C=C3)Cl |
| InChIKey | QPSZQDKINQNBDK-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1-(Benzylideneamino)-4-(4-chlorophenyl)imidazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 1-(Benzylideneamino)-4-(4-chlorophenyl)imidazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzylideneamino)-4-(4-chlorophenyl)imidazol-2-amine has 1 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 1-(Benzylideneamino)-4-(4-chlorophenyl)imidazol-2-amine is 1144509-42-1.
The molecular formula of 1-(Benzylideneamino)-4-(4-chlorophenyl)imidazol-2-amine is C16H13ClN4.
The molecular weight of 1-(Benzylideneamino)-4-(4-chlorophenyl)imidazol-2-amine is 296.0829 g/mol.
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