1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
TL;DR: 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one (CAS 24786-47-8) is a chemical compound with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-5-nitrobenzimidazol-2-one
Also Known As: 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one, 1,3-diethyl-5-nitrobenzimidazol-2-one, 1,3-diethyl-5-nitro-benzimidazol-2-one, 1,3-Diethyl-5-nitro-1H-benzo[d]imidazol-2(3H)-one, 1,3-diethyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one
| Molecular Formula | C11H13N3O3 |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.09569 |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 24786-47-8 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N(C1=O)CC |
| InChIKey | LHKZIUFTPWMHKX-UHFFFAOYSA-N |
Product Overview
1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one (CAS 24786-47-8), with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol. IUPAC: 1,3-diethyl-5-nitrobenzimidazol-2-one.
Chemical Property Profile of 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
Property Insights of 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one. Following Lipinski's Rule of Five, 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-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-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one?
The CAS number of 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one is 24786-47-8.
What is the molecular formula of 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one?
The molecular formula of 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one is C11H13N3O3.
What is the molecular weight of 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one?
The molecular weight of 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one is 235.10 g/mol.
Where can I buy 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one?
You can request a quote for 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-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-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-diethyl-5-nitro-1,3-dihydro-2H-benzimidazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.