2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile
TL;DR: 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile (CAS 25184-09-2) is a chemical compound with molecular formula C11H11N3 and molecular weight 185.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-ethylbenzimidazol-2-yl)acetonitrile
Also Known As: (1-ethyl-1H-benzimidazol-2-yl)acetonitrile, 2-(1-ethylbenzimidazol-2-yl)acetonitrile, 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile, 1H-Benzimidazole-2-acetonitrile,1-ethyl-(9CI), 2-(1-ethylbenzimidazol-2-yl)ethanenitrile
| Molecular Formula | C11H11N3 |
|---|---|
| Molecular Weight | 185.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.09529 |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 25184-09-2 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N=C1CC#N |
| InChIKey | LMKZNSKYLAQXJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile (CAS 25184-09-2), with molecular formula C11H11N3 and molecular weight 185.10 g/mol. IUPAC: 2-(1-ethylbenzimidazol-2-yl)acetonitrile.
Chemical Property Profile of 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile
Property Insights of 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile. With a topological polar surface area (TPSA) of 41.6 Ų, 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile has 0 hydrogen bond donor(s) and 2 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-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile?
The CAS number of 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile is 25184-09-2.
What is the molecular formula of 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile?
The molecular formula of 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile is C11H11N3.
What is the molecular weight of 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile?
The molecular weight of 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile is 185.10 g/mol.
Where can I buy 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile?
You can request a quote for 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-ethyl-1H-1,3-benzodiazol-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.