1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole
TL;DR: 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole (CAS 306977-68-4) is a chemical compound with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5,6-dimethyl-4-nitrobenzimidazole
Also Known As: 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole, 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzodiazole, 1-benzyl-5,6-dimethyl-4-nitrobenzimidazole, 1-benzyl-5,6-dimethyl-4-nitro-benzimidazole, 1-benzyl-5,6-dimethyl-4-nitro-1,3-benzodiazole
| Molecular Formula | C16H15N3O2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 3.60964 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.11642 |
| Heavy Atoms | 21 |
| Complexity | 822.4044 |
Chemical Identifiers
| CAS Number | 306977-68-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1C)[N+](=O)[O-])N=CN2CC3=CC=CC=C3 |
Product Overview
1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole (CAS 306977-68-4), with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol. IUPAC: 1-benzyl-5,6-dimethyl-4-nitrobenzimidazole.
Chemical Property Profile of 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole
Property Insights of 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole
The XLogP value of 3.60964 indicates that 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole. Following Lipinski's Rule of Five, 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole 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-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole?
The CAS number of 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole is 306977-68-4.
What is the molecular formula of 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole?
The molecular formula of 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole is C16H15N3O2.
What is the molecular weight of 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole?
The molecular weight of 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole is 281.12 g/mol.
Where can I buy 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole?
You can request a quote for 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5,6-dimethyl-4-nitro-1H-1,3-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.