![[3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid structure](/static/products/1465/146578-79-2.webp)
[3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid
TL;DR: [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid (CAS 146578-79-2) is a chemical compound with molecular formula C16H14ClN3O2 and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]acetic acid
Also Known As: BAS 01006755, AE-848/37241015, [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid, 2-(3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetic acid, 2-[3-[(4-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]acetic acid
| Molecular Formula | C16H14ClN3O2 |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.07745 |
| Heavy Atoms | 22 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 146578-79-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=N)N2CC(=O)O)CC3=CC=C(C=C3)Cl |
| InChIKey | LORVIWVYWGVRNT-UHFFFAOYSA-N |
Product Overview
[3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid (CAS 146578-79-2), with molecular formula C16H14ClN3O2 and molecular weight 315.08 g/mol. IUPAC: 2-[3-[(4-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]acetic acid.
Chemical Property Profile of [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid
Property Insights of [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid. Following Lipinski's Rule of Five, [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid 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 [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid?
The CAS number of [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid is 146578-79-2.
What is the molecular formula of [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid?
The molecular formula of [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid is C16H14ClN3O2.
What is the molecular weight of [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid?
The molecular weight of [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid is 315.08 g/mol.
Where can I buy [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid?
You can request a quote for [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.