2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium
TL;DR: 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium (CAS 6706-78-1) is a chemical compound with molecular formula C21H21N2O+ and molecular weight 317.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium
Also Known As: 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium, 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzoimidazole, 2-{[(Naphthalen-2-yl)oxy]methyl}-3-(propan-2-yl)-1H-1,3-benzimidazol-3-ium
| Molecular Formula | C21H21N2O+ |
|---|---|
| Molecular Weight | 317.17 g/mol |
| LogP | 4.7685 |
| Topological Polar Surface Area | 28.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.16537 |
| Heavy Atoms | 24 |
| Complexity | 1001.00195 |
Chemical Identifiers
| CAS Number | 6706-78-1 |
|---|---|
| SMILES | CC(C)[N+]1=C(NC2=CC=CC=C21)COC3=CC4=CC=CC=C4C=C3 |
Product Overview
2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium (CAS 6706-78-1), with molecular formula C21H21N2O+ and molecular weight 317.17 g/mol. IUPAC: 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium.
Chemical Property Profile of 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium
Property Insights of 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium
The XLogP value of 4.7685 indicates that 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.9 Ų, 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium 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-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium?
The CAS number of 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium is 6706-78-1.
What is the molecular formula of 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium?
The molecular formula of 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium is C21H21N2O+.
What is the molecular weight of 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium?
The molecular weight of 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium is 317.17 g/mol.
Where can I buy 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium?
You can request a quote for 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.