(5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone
TL;DR: (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone (CAS 61681-02-5) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,6-dimethylbenzimidazol-1-yl)-(4-nitrophenyl)methanone
Also Known As: KST-1A6552, (5,6-dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone, 5,6-dimethyl-1-(4-nitrobenzoyl)-1H-benzimidazole, BIM-0008196.P001, 5,6-dimethylbenzimidazolyl 4-nitrophenyl ketone
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 3.24984 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 894.8901 |
Chemical Identifiers
| CAS Number | 61681-02-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone (CAS 61681-02-5), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: (5,6-dimethylbenzimidazol-1-yl)-(4-nitrophenyl)methanone.
Chemical Property Profile of (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone
Property Insights of (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone
The XLogP value of 3.24984 indicates that (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone. Following Lipinski's Rule of Five, (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone has 0 hydrogen bond donor(s) and 4 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 (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone?
The CAS number of (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone is 61681-02-5.
What is the molecular formula of (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone?
The molecular formula of (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone is C16H13N3O3.
What is the molecular weight of (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone?
The molecular weight of (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone is 295.10 g/mol.
Where can I buy (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone?
You can request a quote for (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5,6-Dimethyl-1h-benzimidazol-1-yl)(4-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.