2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole
TL;DR: 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole (CAS 337339-49-8) is a chemical compound with molecular formula C18H15N5O2S and molecular weight 365.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole
Also Known As: CBKinase1_001453, CBKinase1_013853, BAS 01257010, 2-[(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-1,3-benzodiazole, BRD-K66517952-001-01-5
| Molecular Formula | C18H15N5O2S |
|---|---|
| Molecular Weight | 365.09 g/mol |
| LogP | 4.17552 |
| Topological Polar Surface Area | 89.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.09464 |
| Heavy Atoms | 26 |
| Complexity | 1054.616 |
Chemical Identifiers
| CAS Number | 337339-49-8 |
|---|---|
| SMILES | CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=CC=CC=C4N3)[N+](=O)[O-] |
Product Overview
2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole (CAS 337339-49-8), with molecular formula C18H15N5O2S and molecular weight 365.09 g/mol. IUPAC: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-benzimidazole.
Chemical Property Profile of 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole
Property Insights of 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole
The XLogP value of 4.17552 indicates that 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole. Following Lipinski's Rule of Five, 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole has 1 hydrogen bond donor(s) and 5 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-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole?
The CAS number of 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole is 337339-49-8.
What is the molecular formula of 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole?
The molecular formula of 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole is C18H15N5O2S.
What is the molecular weight of 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole?
The molecular weight of 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole is 365.09 g/mol.
Where can I buy 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole?
You can request a quote for 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-1H-benzoimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.