![4-Nitro-1H-benzo[d]imidazol-2(3H)-one structure](/static/products/853/85330-50-3.png)
4-Nitro-1H-benzo[d]imidazol-2(3H)-one
TL;DR: 4-Nitro-1H-benzo[d]imidazol-2(3H)-one (CAS 85330-50-3) is a chemical compound with molecular formula C7H5N3O3 and molecular weight 179.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1,3-dihydrobenzimidazol-2-one
Also Known As: 4-Nitro-1H-benzo[d]imidazol-2(3H)-one, 4-Nitro-1,3-dihydro-2H-benzimidazol-2-one, 4-nitro-1,3-dihydrobenzimidazol-2-one, 4-Nitro-2-benzimidazolinone, 7-nitro-2-hydroxybenzimidazole
| Molecular Formula | C7H5N3O3 |
|---|---|
| Molecular Weight | 179.03 g/mol |
| LogP | 0.7644 |
| Topological Polar Surface Area | 91.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0331 |
| Heavy Atoms | 13 |
| Complexity | 525.00745 |
Chemical Identifiers
| CAS Number | 85330-50-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=O)N2 |
Product Overview
4-Nitro-1H-benzo[d]imidazol-2(3H)-one (CAS 85330-50-3), with molecular formula C7H5N3O3 and molecular weight 179.03 g/mol. IUPAC: 4-nitro-1,3-dihydrobenzimidazol-2-one.
Chemical Property Profile of 4-Nitro-1H-benzo[d]imidazol-2(3H)-one
Property Insights of 4-Nitro-1H-benzo[d]imidazol-2(3H)-one
The XLogP value of 0.7644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-1H-benzo[d]imidazol-2(3H)-one. The TPSA of 91.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-1H-benzo[d]imidazol-2(3H)-one. Following Lipinski's Rule of Five, 4-Nitro-1H-benzo[d]imidazol-2(3H)-one has 2 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 4-Nitro-1H-benzo[d]imidazol-2(3H)-one?
The CAS number of 4-Nitro-1H-benzo[d]imidazol-2(3H)-one is 85330-50-3.
What is the molecular formula of 4-Nitro-1H-benzo[d]imidazol-2(3H)-one?
The molecular formula of 4-Nitro-1H-benzo[d]imidazol-2(3H)-one is C7H5N3O3.
What is the molecular weight of 4-Nitro-1H-benzo[d]imidazol-2(3H)-one?
The molecular weight of 4-Nitro-1H-benzo[d]imidazol-2(3H)-one is 179.03 g/mol.
Where can I buy 4-Nitro-1H-benzo[d]imidazol-2(3H)-one?
You can request a quote for 4-Nitro-1H-benzo[d]imidazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-1H-benzo[d]imidazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-1H-benzo[d]imidazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.