2-(Isocyanomethyl)-1H-benzimidazole
TL;DR: 2-(Isocyanomethyl)-1H-benzimidazole (CAS 1030269-10-3) is a chemical compound with molecular formula C9H7N3 and molecular weight 157.064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(isocyanomethyl)-1H-benzimidazole
Also Known As: 2-(isocyanomethyl)-1H-benzimidazole, 2-(isocyanomethyl)-1H-benzoimidazole
Technical Specifications
| Molecular Formula | C9H7N3 |
| Molecular Weight | 157.064 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.064 Da |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
| SMILES | [C-]#[N+]CC1=NC2=CC=CC=C2N1 |
| InChIKey | ZRMPLBURHIXBPN-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Isocyanomethyl)-1H-benzimidazole
Property Insights of 2-(Isocyanomethyl)-1H-benzimidazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isocyanomethyl)-1H-benzimidazole. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(Isocyanomethyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isocyanomethyl)-1H-benzimidazole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Isocyanomethyl)-1H-benzimidazole?
The CAS number of 2-(Isocyanomethyl)-1H-benzimidazole is 1030269-10-3.
What is the molecular formula of 2-(Isocyanomethyl)-1H-benzimidazole?
The molecular formula of 2-(Isocyanomethyl)-1H-benzimidazole is C9H7N3.
What is the molecular weight of 2-(Isocyanomethyl)-1H-benzimidazole?
The molecular weight of 2-(Isocyanomethyl)-1H-benzimidazole is 157.064 g/mol.
Where can I buy 2-(Isocyanomethyl)-1H-benzimidazole?
You can request a quote for 2-(Isocyanomethyl)-1H-benzimidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Isocyanomethyl)-1H-benzimidazole?
Yes, CoreyChem provides custom synthesis services for 2-(Isocyanomethyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.