2-(2-methylpropyl)-1H-1,3-benzodiazole
TL;DR: 2-(2-methylpropyl)-1H-1,3-benzodiazole (CAS 5851-45-6) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropyl)-1H-benzimidazole
Also Known As: 2-Isobutyl-1H-benzimidazole, 2-Isobutyl-1H-benzoimidazole, 2-isobutyl-1H-benzo[d]imidazole, 2-(2-methylpropyl)-1H-1,3-benzodiazole, 2-Isobutylbenzimidazole
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 5851-45-6 |
|---|---|
| SMILES | CC(C)CC1=NC2=CC=CC=C2N1 |
| InChIKey | ICSHJXKBLINVJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-methylpropyl)-1H-1,3-benzodiazole (CAS 5851-45-6), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 2-(2-methylpropyl)-1H-benzimidazole.
Chemical Property Profile of 2-(2-methylpropyl)-1H-1,3-benzodiazole
Property Insights of 2-(2-methylpropyl)-1H-1,3-benzodiazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-methylpropyl)-1H-1,3-benzodiazole. With a topological polar surface area (TPSA) of 28.7 Ų, 2-(2-methylpropyl)-1H-1,3-benzodiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-methylpropyl)-1H-1,3-benzodiazole has 1 hydrogen bond donor(s) and 1 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-(2-methylpropyl)-1H-1,3-benzodiazole?
The CAS number of 2-(2-methylpropyl)-1H-1,3-benzodiazole is 5851-45-6.
What is the molecular formula of 2-(2-methylpropyl)-1H-1,3-benzodiazole?
The molecular formula of 2-(2-methylpropyl)-1H-1,3-benzodiazole is C11H14N2.
What is the molecular weight of 2-(2-methylpropyl)-1H-1,3-benzodiazole?
The molecular weight of 2-(2-methylpropyl)-1H-1,3-benzodiazole is 174.12 g/mol.
Where can I buy 2-(2-methylpropyl)-1H-1,3-benzodiazole?
You can request a quote for 2-(2-methylpropyl)-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-methylpropyl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methylpropyl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.