2-Chloro-1-(2-propynyl)-1H-benzimidazole
TL;DR: 2-Chloro-1-(2-propynyl)-1H-benzimidazole (CAS 80276-19-3) is a chemical compound with molecular formula C10H7ClN2 and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-prop-2-ynylbenzimidazole
Also Known As: 2-chloro-1-prop-2-ynylbenzimidazole, 1-(2-propynyl)-2-chlorobenzimidazole, 2-Chloro-1-(2-propynyl)-1H-benzimidazole, 1H-Benzimidazole, 2-chloro-1-(2-propynyl)- (9CI)
| Molecular Formula | C10H7ClN2 |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.02977 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 80276-19-3 |
|---|---|
| SMILES | C#CCN1C2=CC=CC=C2N=C1Cl |
| InChIKey | KWSMTMNVSQXAJY-UHFFFAOYSA-N |
Product Overview
2-Chloro-1-(2-propynyl)-1H-benzimidazole (CAS 80276-19-3), with molecular formula C10H7ClN2 and molecular weight 190.03 g/mol. IUPAC: 2-chloro-1-prop-2-ynylbenzimidazole.
Chemical Property Profile of 2-Chloro-1-(2-propynyl)-1H-benzimidazole
Property Insights of 2-Chloro-1-(2-propynyl)-1H-benzimidazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(2-propynyl)-1H-benzimidazole. With a topological polar surface area (TPSA) of 17.8 Ų, 2-Chloro-1-(2-propynyl)-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(2-propynyl)-1H-benzimidazole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-1-(2-propynyl)-1H-benzimidazole?
The CAS number of 2-Chloro-1-(2-propynyl)-1H-benzimidazole is 80276-19-3.
What is the molecular formula of 2-Chloro-1-(2-propynyl)-1H-benzimidazole?
The molecular formula of 2-Chloro-1-(2-propynyl)-1H-benzimidazole is C10H7ClN2.
What is the molecular weight of 2-Chloro-1-(2-propynyl)-1H-benzimidazole?
The molecular weight of 2-Chloro-1-(2-propynyl)-1H-benzimidazole is 190.03 g/mol.
Where can I buy 2-Chloro-1-(2-propynyl)-1H-benzimidazole?
You can request a quote for 2-Chloro-1-(2-propynyl)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(2-propynyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(2-propynyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.