N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine
TL;DR: N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine (CAS 3689-77-8) is a chemical compound with molecular formula C12H15Cl2N3 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine
Also Known As: Dimezol 14, N,N-Bis -1H-benzimidazole-2-methanamine, 2-(Bis(beta-chloroethyl)aminomethyl)benzimidazole, 1H-Benzimidazole-2-methanamine, N,N-bis(2-chloroethyl)-, 2-(bis(2-chloroethyl)aminomethyl)benzimidazole
| Molecular Formula | C12H15Cl2N3 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 31.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.0643 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 3689-77-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CN(CCCl)CCCl |
| InChIKey | KVXVTSPBGSEDER-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine (CAS 3689-77-8), with molecular formula C12H15Cl2N3 and molecular weight 271.06 g/mol. IUPAC: N-(1H-benzimidazol-2-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine
Property Insights of N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine. With a topological polar surface area (TPSA) of 31.9 Ų, N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine 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 N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine?
The CAS number of N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine is 3689-77-8.
What is the molecular formula of N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine?
The molecular formula of N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine is C12H15Cl2N3.
What is the molecular weight of N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine?
The molecular weight of N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine is 271.06 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine?
You can request a quote for N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-1H-benzimidazole-2-methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.