N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline
TL;DR: N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline (CAS 73259-39-9) is a chemical compound with molecular formula C21H19N3O and molecular weight 329.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline
Also Known As: N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline, N-[(1H-1,3-Benzimidazol-2-yl)methyl]-4-(3-methylphenoxy)aniline
| Molecular Formula | C21H19N3O |
|---|---|
| Molecular Weight | 329.15 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.1528 |
| Heavy Atoms | 25 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 73259-39-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3 |
| InChIKey | DLCMOVLJBNSOCB-UHFFFAOYSA-N |
Product Overview
N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline (CAS 73259-39-9), with molecular formula C21H19N3O and molecular weight 329.15 g/mol. IUPAC: N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline.
Chemical Property Profile of N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline
Property Insights of N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline
The XLogP value of 4.9 indicates that N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline has 2 hydrogen bond donor(s) and 3 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-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline?
The CAS number of N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline is 73259-39-9.
What is the molecular formula of N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline?
The molecular formula of N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline is C21H19N3O.
What is the molecular weight of N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline?
The molecular weight of N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline is 329.15 g/mol.
Where can I buy N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline?
You can request a quote for N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-benzimidazol-2-ylmethyl)-4-(3-methylphenoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.