2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole
TL;DR: 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole (CAS 3652-94-6) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2H-benzimidazole
Also Known As: BAS 00154845, 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole, 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2H-benzimidazole, AE-641/32252031, 1H-Benzimidazole, 2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,3-dimethyl-
| Molecular Formula | C16H16N2O2 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.1212 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 3652-94-6 |
|---|---|
| SMILES | CN1C(N(C2=CC=CC=C21)C)C3=CC4=C(C=C3)OCO4 |
| InChIKey | BADRXCZZUGMXDN-UHFFFAOYSA-N |
Product Overview
2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole (CAS 3652-94-6), with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2H-benzimidazole.
Chemical Property Profile of 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole
Property Insights of 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole
The XLogP value of 3.4 indicates that 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole has 0 hydrogen bond donor(s) and 4 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-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole?
The CAS number of 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole is 3652-94-6.
What is the molecular formula of 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole?
The molecular formula of 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole is C16H16N2O2.
What is the molecular weight of 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole?
The molecular weight of 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole is 268.12 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole?
You can request a quote for 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-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-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2,3-dihydro-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.