Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate
TL;DR: Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate (CAS 145127-12-4) is a chemical compound with molecular formula C11H9N3O2 and molecular weight 215.06947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(cyanomethyl)-3H-benzimidazole-5-carboxylate
Also Known As: methyl 2-cyanomethyl-5-benzimidazolecarboxylate, AN-890/14591140, methyl 2-(cyanomethyl)-1H-benzimidazole-5-carboxylate, methyl 2-(cyanomethyl)-3H-benzimidazole-5-carboxylate, methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate
Technical Specifications
| Molecular Formula | C11H9N3O2 |
| Molecular Weight | 215.06947 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.06947 Da |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
| SMILES | COC(=O)C1=CC2=C(C=C1)N=C(N2)CC#N |
| InChIKey | BYGMTDWPSRRPTG-UHFFFAOYSA-N |
Chemical Property Profile of Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate
Property Insights of Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate. Following Lipinski's Rule of Five, Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate?
The CAS number of Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate is 145127-12-4.
What is the molecular formula of Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate?
The molecular formula of Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate is C11H9N3O2.
What is the molecular weight of Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate?
The molecular weight of Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate is 215.06947 g/mol.
Where can I buy Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate?
You can request a quote for Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl-2-(cyanomethyl)-1h-benzimidazol-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.