N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine
TL;DR: N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine (CAS 111114-79-5) is a chemical compound with molecular formula C15H14N4O2 and molecular weight 282.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)aniline
Also Known As: N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine, N,N-dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)aniline, Dimethyl-[4-(5-nitro-1H-benzoimidazol-2-yl)-phenyl]-amine, 2-[4-(Dimethylamino)phenyl]-5-nitrobenzimidazole, 5-nitro-2-(4-N,N-dimethylaminophenyl)benzimidazole
| Molecular Formula | C15H14N4O2 |
|---|---|
| Molecular Weight | 282.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.11166 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 111114-79-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | IKXRQYVVUBRJLU-UHFFFAOYSA-N |
Product Overview
N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine (CAS 111114-79-5), with molecular formula C15H14N4O2 and molecular weight 282.11 g/mol. IUPAC: N,N-dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)aniline.
Chemical Property Profile of N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine
Property Insights of N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine
The XLogP value of 3.5 indicates that N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine. Following Lipinski's Rule of Five, N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine has 1 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 N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine?
The CAS number of N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine is 111114-79-5.
What is the molecular formula of N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine?
The molecular formula of N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine is C15H14N4O2.
What is the molecular weight of N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine?
The molecular weight of N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine is 282.11 g/mol.
Where can I buy N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine?
You can request a quote for N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-4-(6-nitro-1H-benzimidazol-2-yl)benzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.