![methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate structure](/static/products/4253/425398-89-6.webp)
methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate
TL;DR: methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate (CAS 425398-89-6) is a chemical compound with molecular formula C17H16ClN3O2 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]acetate
Also Known As: BAS 01006793, BIM-0041765.P001, methyl 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]acetate, [3-(2-Chloro-benzyl)-2-imino-2,3-dihydro-benzoimidazol-1-yl]-acetic acid methyl, methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate
| Molecular Formula | C17H16ClN3O2 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.0931 |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 425398-89-6 |
|---|---|
| SMILES | COC(=O)CN1C2=CC=CC=C2N(C1=N)CC3=CC=CC=C3Cl |
| InChIKey | UBEPHULSBBHQPD-UHFFFAOYSA-N |
Product Overview
methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate (CAS 425398-89-6), with molecular formula C17H16ClN3O2 and molecular weight 329.09 g/mol. IUPAC: methyl 2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]acetate.
Chemical Property Profile of methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate
Property Insights of methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate
The XLogP value of 3.1 indicates that methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.6 Ų, methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate has 1 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 methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate?
The CAS number of methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate is 425398-89-6.
What is the molecular formula of methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate?
The molecular formula of methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate is C17H16ClN3O2.
What is the molecular weight of methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate?
The molecular weight of methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate is 329.09 g/mol.
Where can I buy methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate?
You can request a quote for methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.