![2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide structure](/static/products/472/472984-87-5.png)
2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide
TL;DR: 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide (CAS 472984-87-5) is a chemical compound with molecular formula C26H27BrN4O3 and molecular weight 522.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-tert-butylphenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(4-nitrophenyl)ethanone;hydrobromide
Also Known As: 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide, 2-[3-[(4-tert-butylphenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(4-nitrophenyl)ethanone hydrobromide
| Molecular Formula | C26H27BrN4O3 |
|---|---|
| Molecular Weight | 522.13 g/mol |
| LogP | 5.63707 |
| Topological Polar Surface Area | 93.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.12665 |
| Heavy Atoms | 34 |
| Complexity | 1395.5027 |
Chemical Identifiers
| CAS Number | 472984-87-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Br |
Product Overview
2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide (CAS 472984-87-5), with molecular formula C26H27BrN4O3 and molecular weight 522.13 g/mol. IUPAC: 2-[3-[(4-tert-butylphenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(4-nitrophenyl)ethanone;hydrobromide.
Chemical Property Profile of 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide
Property Insights of 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide
The XLogP value of 5.63707 indicates that 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide. Following Lipinski's Rule of Five, 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide?
The CAS number of 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide is 472984-87-5.
What is the molecular formula of 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide?
The molecular formula of 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide is C26H27BrN4O3.
What is the molecular weight of 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide?
The molecular weight of 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide is 522.13 g/mol.
Where can I buy 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide?
You can request a quote for 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-(tert-butyl)benzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1-(4-nitrophenyl)ethanone hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.