2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline
TL;DR: 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline (CAS 16367-95-6) is a chemical compound with molecular formula C14H12ClN3 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline
Also Known As: 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline, 2-(1H-1,3-Benzimidazol-2-yl)-4-chloro-N-methylaniline, 2-(1H-BENZIMIDAZOL-2-YL)-4-CHLORO-N-METHYLBENZENAMINE, BENZENAMINE,2-(1H-BENZIMIDAZOL-2-YL)-4-CHLORO-N-METHYL-
| Molecular Formula | C14H12ClN3 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.07196 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 16367-95-6 |
|---|---|
| SMILES | CNC1=C(C=C(C=C1)Cl)C2=NC3=CC=CC=C3N2 |
| InChIKey | YTTXTRLDXKUQMC-UHFFFAOYSA-N |
Product Overview
2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline (CAS 16367-95-6), with molecular formula C14H12ClN3 and molecular weight 257.07 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline
Property Insights of 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline
The XLogP value of 3.3 indicates that 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.7 Ų, 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline has 2 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 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline?
The CAS number of 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline is 16367-95-6.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline?
The molecular formula of 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline is C14H12ClN3.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline?
The molecular weight of 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline is 257.07 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline?
You can request a quote for 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-4-chloro-N-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.