1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)-
TL;DR: 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)- (CAS 68406-49-5) is a chemical compound with molecular formula C8H12N4O2 and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-5-(pyrrolidin-1-ylmethyl)-1H-imidazole
Also Known As: 2-Nitro-4- -1H-imidazole, 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)-, 2-Nitro-4-(1-pyrrolidinylmethyl)-1H-imidazole, 2-Nitro-4-pyrrolidin-1-ylmethyl-1H-imidazole, 2-nitro-5-(pyrrolidin-1-ylmethyl)-1H-imidazole
| Molecular Formula | C8H12N4O2 |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.09602 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 68406-49-5 |
|---|---|
| SMILES | C1CCN(C1)CC2=CN=C(N2)[N+](=O)[O-] |
| InChIKey | DTPRVEPEYAHRKY-UHFFFAOYSA-N |
Product Overview
1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)- (CAS 68406-49-5), with molecular formula C8H12N4O2 and molecular weight 196.10 g/mol. IUPAC: 2-nitro-5-(pyrrolidin-1-ylmethyl)-1H-imidazole.
Chemical Property Profile of 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)-
Property Insights of 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)-. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)-. Following Lipinski's Rule of Five, 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)- 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 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)-?
The CAS number of 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)- is 68406-49-5.
What is the molecular formula of 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)-?
The molecular formula of 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)- is C8H12N4O2.
What is the molecular weight of 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)-?
The molecular weight of 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)- is 196.10 g/mol.
Where can I buy 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)-?
You can request a quote for 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 2-nitro-4-(1-pyrrolidinylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.