1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium
TL;DR: 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium (CAS 193405-09-3) is a chemical compound with molecular formula C11H12N3+ and molecular weight 186.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-prop-2-ynylbenzimidazol-3-ium-1-amine
Also Known As: 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium, 2-methyl-3-prop-2-ynylbenzimidazol-3-ium-1-amine, 2-methyl-1-prop-2-ynylbenzimidazole-3-ylamine, AQ-405/42300595, 3-Amino-2-methyl-1-(prop-2-yn-1-yl)-1H-benzo[d]imidazol-3-ium
| Molecular Formula | C11H12N3+ |
|---|---|
| Molecular Weight | 186.10 g/mol |
| LogP | 0.58422 |
| Topological Polar Surface Area | 34.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.10312 |
| Heavy Atoms | 14 |
| Complexity | 517.04755 |
Chemical Identifiers
| CAS Number | 193405-09-3 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2N1N)CC#C |
Product Overview
1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium (CAS 193405-09-3), with molecular formula C11H12N3+ and molecular weight 186.10 g/mol. IUPAC: 2-methyl-3-prop-2-ynylbenzimidazol-3-ium-1-amine.
Chemical Property Profile of 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium
Property Insights of 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium
The XLogP value of 0.58422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium. With a topological polar surface area (TPSA) of 34.83 Ų, 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-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 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium?
The CAS number of 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium is 193405-09-3.
What is the molecular formula of 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium?
The molecular formula of 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium is C11H12N3+.
What is the molecular weight of 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium?
The molecular weight of 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium is 186.10 g/mol.
Where can I buy 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium?
You can request a quote for 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-amino-2-methyl-3-(2-propynyl)-3H-benzimidazol-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.