N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine
TL;DR: N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine (CAS 454464-93-8) is a chemical compound with molecular formula C11H12ClN3 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-4,5-dimethylimidazol-1-amine
Also Known As: N-(3-chlorophenyl)-4,5-dimethylimidazol-1-amine, 1H-Imidazol-1-amine, N-(3-chlorophenyl)-4,5-dimethyl-, N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine, N-(3-Chlorophenyl)-4,5-dimethyl-1H-imidazol-1-amine
| Molecular Formula | C11H12ClN3 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 29.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.07198 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 454464-93-8 |
|---|---|
| SMILES | CC1=C(N(C=N1)NC2=CC(=CC=C2)Cl)C |
| InChIKey | NELSTVADQULODT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine (CAS 454464-93-8), with molecular formula C11H12ClN3 and molecular weight 221.07 g/mol. IUPAC: N-(3-chlorophenyl)-4,5-dimethylimidazol-1-amine.
Chemical Property Profile of N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine
Property Insights of N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine
The XLogP value of 3.4 indicates that N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.9 Ų, N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine has 1 hydrogen bond donor(s) and 2 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-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine?
The CAS number of N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine is 454464-93-8.
What is the molecular formula of N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine?
The molecular formula of N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine is C11H12ClN3.
What is the molecular weight of N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine?
The molecular weight of N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine is 221.07 g/mol.
Where can I buy N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine?
You can request a quote for N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-4,5-dimethyl-imidazol-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.