1-(4-bromobenzyl)-1H-benzimidazol-2-amine
TL;DR: 1-(4-bromobenzyl)-1H-benzimidazol-2-amine (CAS 440097-87-0) is a chemical compound with molecular formula C14H12BrN3 and molecular weight 301.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromophenyl)methyl]benzimidazol-2-amine
Also Known As: 1-(4-bromobenzyl)-1H-benzimidazol-2-amine, 1-[(4-bromophenyl)methyl]benzimidazol-2-amine, 1-(4-Bromobenzyl)-1h-benzo[d]imidazol-2-amine, Cambridge id 7313068
| Molecular Formula | C14H12BrN3 |
|---|---|
| Molecular Weight | 301.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.02145 |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 440097-87-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)Br)N |
| InChIKey | XRFDJMCBZXDZIV-UHFFFAOYSA-N |
Product Overview
1-(4-bromobenzyl)-1H-benzimidazol-2-amine (CAS 440097-87-0), with molecular formula C14H12BrN3 and molecular weight 301.02 g/mol. IUPAC: 1-[(4-bromophenyl)methyl]benzimidazol-2-amine.
Chemical Property Profile of 1-(4-bromobenzyl)-1H-benzimidazol-2-amine
Property Insights of 1-(4-bromobenzyl)-1H-benzimidazol-2-amine
The XLogP value of 3.2 indicates that 1-(4-bromobenzyl)-1H-benzimidazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.8 Ų, 1-(4-bromobenzyl)-1H-benzimidazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-bromobenzyl)-1H-benzimidazol-2-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 1-(4-bromobenzyl)-1H-benzimidazol-2-amine?
The CAS number of 1-(4-bromobenzyl)-1H-benzimidazol-2-amine is 440097-87-0.
What is the molecular formula of 1-(4-bromobenzyl)-1H-benzimidazol-2-amine?
The molecular formula of 1-(4-bromobenzyl)-1H-benzimidazol-2-amine is C14H12BrN3.
What is the molecular weight of 1-(4-bromobenzyl)-1H-benzimidazol-2-amine?
The molecular weight of 1-(4-bromobenzyl)-1H-benzimidazol-2-amine is 301.02 g/mol.
Where can I buy 1-(4-bromobenzyl)-1H-benzimidazol-2-amine?
You can request a quote for 1-(4-bromobenzyl)-1H-benzimidazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromobenzyl)-1H-benzimidazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromobenzyl)-1H-benzimidazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.