TL;DR: 1-Chloro-2-formyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 107145-02-8) is a chemical compound with molecular formula C14H8ClN3O and molecular weight 269.03558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-formyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: 1-chloro-2-formyl-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, J2.192.077K, 1-chloro-2-formyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 1-chloro-2-formyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile, 13-CHLORO-12-FORMYL-11-METHYL-1,8-DIAZATRICYCLO[7.4.0.0(2),?]TRIDECA-2,4,6,8,10,12-HEXAENE-10-CARBONITRILE
| Molecular Formula | C14H8ClN3O |
| Molecular Weight | 269.03558 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.03558 Da |
| Heavy Atoms | 19 |
| Complexity | 420.0 |
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1C=O)Cl)C#N |
| InChIKey | OZLFBGHXGDRFQT-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1-Chloro-2-formyl-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 58.2 Ų, 1-Chloro-2-formyl-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-formyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has 0 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-Chloro-2-formyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is 107145-02-8.
The molecular formula of 1-Chloro-2-formyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is C14H8ClN3O.
The molecular weight of 1-Chloro-2-formyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is 269.03558 g/mol.
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