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1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one
TL;DR: 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one (CAS 43027-50-5) is a chemical compound with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-nitrobenzimidazol-2-one
Also Known As: 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one, 1,3-dimethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one, 1,3-Dimethyl-5-nitro-1,3-dihydro-2H-benzo[d]imidazol-2-one, 1,3-dimethyl-5-nitrobenzimidazol-2-one, 1,3-Dimethyl-5-nitrobenzimidazol-2(3H)-one
| Molecular Formula | C9H9N3O3 |
|---|---|
| Molecular Weight | 207.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 207.06439 |
| Heavy Atoms | 15 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 43027-50-5 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)C |
| InChIKey | HGEXWKZJLRGOOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one (CAS 43027-50-5), with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol. IUPAC: 1,3-dimethyl-5-nitrobenzimidazol-2-one.
Chemical Property Profile of 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one
Property Insights of 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one. Following Lipinski's Rule of Five, 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one has 0 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 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one?
The CAS number of 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one is 43027-50-5.
What is the molecular formula of 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one?
The molecular formula of 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one is C9H9N3O3.
What is the molecular weight of 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one?
The molecular weight of 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one is 207.06 g/mol.
Where can I buy 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one?
You can request a quote for 1,3-dimethyl-5-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 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.