![2-Isopropyl-5-nitro-1H-benzo[d]imidazole structure](/static/products/1640/16405-84-8.webp)
2-Isopropyl-5-nitro-1H-benzo[d]imidazole
TL;DR: 2-Isopropyl-5-nitro-1H-benzo[d]imidazole (CAS 16405-84-8) is a chemical compound with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-propan-2-yl-1H-benzimidazole
Also Known As: 2-isopropyl-5-nitrobenzimidazole, 2-Isopropyl-5-nitro-1H-benzo[d]imidazole, 2-(methylethyl)-6-nitrobenzimidazole, 6-nitro-2-propan-2-yl-1H-benzimidazole, 1H-Benzimidazole, 2-(1-methylethyl)-6-nitro-
| Molecular Formula | C10H11N3O2 |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.08513 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 16405-84-8 |
|---|---|
| SMILES | CC(C)C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | HPTQXZVPWMFRBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropyl-5-nitro-1H-benzo[d]imidazole (CAS 16405-84-8), with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol. IUPAC: 6-nitro-2-propan-2-yl-1H-benzimidazole.
Chemical Property Profile of 2-Isopropyl-5-nitro-1H-benzo[d]imidazole
Property Insights of 2-Isopropyl-5-nitro-1H-benzo[d]imidazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropyl-5-nitro-1H-benzo[d]imidazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isopropyl-5-nitro-1H-benzo[d]imidazole. Following Lipinski's Rule of Five, 2-Isopropyl-5-nitro-1H-benzo[d]imidazole has 1 hydrogen bond donor(s) and 3 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-Isopropyl-5-nitro-1H-benzo[d]imidazole?
The CAS number of 2-Isopropyl-5-nitro-1H-benzo[d]imidazole is 16405-84-8.
What is the molecular formula of 2-Isopropyl-5-nitro-1H-benzo[d]imidazole?
The molecular formula of 2-Isopropyl-5-nitro-1H-benzo[d]imidazole is C10H11N3O2.
What is the molecular weight of 2-Isopropyl-5-nitro-1H-benzo[d]imidazole?
The molecular weight of 2-Isopropyl-5-nitro-1H-benzo[d]imidazole is 205.09 g/mol.
Where can I buy 2-Isopropyl-5-nitro-1H-benzo[d]imidazole?
You can request a quote for 2-Isopropyl-5-nitro-1H-benzo[d]imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-5-nitro-1H-benzo[d]imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-nitro-1H-benzo[d]imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.