TL;DR: 1-Chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 166671-24-5) is a chemical compound with molecular formula C15H11Cl2N3 and molecular weight 303.033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 1-Chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, UPCMLD0ENAT5747537:001, BAS 09896403, NCI60_017404, BB 0219302
| Molecular Formula | C15H11Cl2N3 |
| Molecular Weight | 303.033 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.033 Da |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)Cl)C#N |
| InChIKey | FUFPNFLKYVGOQV-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 1-Chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 1-Chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is 166671-24-5.
The molecular formula of 1-Chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is C15H11Cl2N3.
The molecular weight of 1-Chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is 303.033 g/mol.
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