2-Benzocyclobutane-4,5-dihydro-1-H-imidazole
TL;DR: 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole (CAS 93208-44-7) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,5-dihydro-1H-imidazole
Also Known As: Cid 146399, 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole, S-10089, S 10089, 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,5-dihydro-1H-imidazole
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 93208-44-7 |
|---|---|
| SMILES | C1CN=C(N1)C2CC3=CC=CC=C23 |
| InChIKey | IBAHCMLWLOWADT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzocyclobutane-4,5-dihydro-1-H-imidazole (CAS 93208-44-7), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,5-dihydro-1H-imidazole.
Chemical Property Profile of 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole
Property Insights of 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole. With a topological polar surface area (TPSA) of 24.4 Ų, 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole has 1 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-Benzocyclobutane-4,5-dihydro-1-H-imidazole?
The CAS number of 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole is 93208-44-7.
What is the molecular formula of 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole?
The molecular formula of 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole is C11H12N2.
What is the molecular weight of 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole?
The molecular weight of 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole is 172.10 g/mol.
Where can I buy 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole?
You can request a quote for 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzocyclobutane-4,5-dihydro-1-H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.