5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole
TL;DR: 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole (CAS 496961-33-2) is a chemical compound with molecular formula C8H11N3 and molecular weight 149.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,5-dihydropyrrol-1-ylmethyl)-1H-imidazole
Also Known As: 5-Carboxy-2-methyl-1H-indole, 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole, 4-(2,5-dihydropyrrol-1-ylmethyl)-3H-imidazole, 5-(2,5-dihydropyrrol-1-ylmethyl)-1H-imidazole, 5-[(2,5-Dihydro-1H-pyrrol-1-yl)methyl]-1H-imidazole
| Molecular Formula | C8H11N3 |
|---|---|
| Molecular Weight | 149.10 g/mol |
| LogP | 0.7815 |
| Topological Polar Surface Area | 31.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.09529 |
| Heavy Atoms | 11 |
| Complexity | 229.84967 |
Chemical Identifiers
| CAS Number | 496961-33-2 |
|---|---|
| SMILES | C1C=CCN1CC2=CN=CN2 |
Product Overview
5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole (CAS 496961-33-2), with molecular formula C8H11N3 and molecular weight 149.10 g/mol. IUPAC: 5-(2,5-dihydropyrrol-1-ylmethyl)-1H-imidazole.
Chemical Property Profile of 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole
Property Insights of 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole
The XLogP value of 0.7815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole. With a topological polar surface area (TPSA) of 31.92 Ų, 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole has 1 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 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole?
The CAS number of 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole is 496961-33-2.
What is the molecular formula of 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole?
The molecular formula of 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole is C8H11N3.
What is the molecular weight of 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole?
The molecular weight of 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole is 149.10 g/mol.
Where can I buy 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole?
You can request a quote for 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.