2-(nitromethyl)-4,5-dihydro-1H-imidazole
TL;DR: 2-(nitromethyl)-4,5-dihydro-1H-imidazole (CAS 13623-98-8) is a chemical compound with molecular formula C4H7N3O2 and molecular weight 129.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(nitromethyl)-4,5-dihydro-1H-imidazole
Also Known As: 2-(nitromethyl)-4,5-dihydro-1H-imidazole, 2-(nitromethylidene)imidazolidine, 1H-Imidazole,4,5-dihydro-2-(nitromethyl)-, 1H-Imidazole,4,5-dihydro-2-(nitromethyl)-(9CI), 3B-086
| Molecular Formula | C4H7N3O2 |
|---|---|
| Molecular Weight | 129.05 g/mol |
| LogP | -0.7352 |
| Topological Polar Surface Area | 67.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 129.05383 |
| Heavy Atoms | 9 |
| Complexity | 153.89174 |
Chemical Identifiers
| CAS Number | 13623-98-8 |
|---|---|
| SMILES | C1CN=C(N1)C[N+](=O)[O-] |
Product Overview
2-(nitromethyl)-4,5-dihydro-1H-imidazole (CAS 13623-98-8), with molecular formula C4H7N3O2 and molecular weight 129.05 g/mol. IUPAC: 2-(nitromethyl)-4,5-dihydro-1H-imidazole.
Chemical Property Profile of 2-(nitromethyl)-4,5-dihydro-1H-imidazole
Property Insights of 2-(nitromethyl)-4,5-dihydro-1H-imidazole
The XLogP value of -0.7352 indicates that 2-(nitromethyl)-4,5-dihydro-1H-imidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(nitromethyl)-4,5-dihydro-1H-imidazole. Following Lipinski's Rule of Five, 2-(nitromethyl)-4,5-dihydro-1H-imidazole has 1 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-(nitromethyl)-4,5-dihydro-1H-imidazole?
The CAS number of 2-(nitromethyl)-4,5-dihydro-1H-imidazole is 13623-98-8.
What is the molecular formula of 2-(nitromethyl)-4,5-dihydro-1H-imidazole?
The molecular formula of 2-(nitromethyl)-4,5-dihydro-1H-imidazole is C4H7N3O2.
What is the molecular weight of 2-(nitromethyl)-4,5-dihydro-1H-imidazole?
The molecular weight of 2-(nitromethyl)-4,5-dihydro-1H-imidazole is 129.05 g/mol.
Where can I buy 2-(nitromethyl)-4,5-dihydro-1H-imidazole?
You can request a quote for 2-(nitromethyl)-4,5-dihydro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(nitromethyl)-4,5-dihydro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(nitromethyl)-4,5-dihydro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.