1-Butyl-2-methylbenzimidazole
TL;DR: 1-Butyl-2-methylbenzimidazole (CAS 4887-85-8) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-2-methylbenzimidazole
Also Known As: 1-butyl-2-methylbenzimidazole, 1-butyl-2-methyl-1H-benzimidazole, 1-n-butyl-2-methylbenzimidazole, 1-butyl-2-methyl-1H-benzo[d]imidazole, 1-Butyl-2-methyl-1H-benzoimidazole
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 4887-85-8 |
|---|---|
| SMILES | CCCCN1C(=NC2=CC=CC=C21)C |
| InChIKey | QFCMOFRLADNCHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butyl-2-methylbenzimidazole (CAS 4887-85-8), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 1-butyl-2-methylbenzimidazole.
Chemical Property Profile of 1-Butyl-2-methylbenzimidazole
Property Insights of 1-Butyl-2-methylbenzimidazole
The XLogP value of 3.0 indicates that 1-Butyl-2-methylbenzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.8 Ų, 1-Butyl-2-methylbenzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-2-methylbenzimidazole has 0 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 1-Butyl-2-methylbenzimidazole?
The CAS number of 1-Butyl-2-methylbenzimidazole is 4887-85-8.
What is the molecular formula of 1-Butyl-2-methylbenzimidazole?
The molecular formula of 1-Butyl-2-methylbenzimidazole is C12H16N2.
What is the molecular weight of 1-Butyl-2-methylbenzimidazole?
The molecular weight of 1-Butyl-2-methylbenzimidazole is 188.13 g/mol.
Where can I buy 1-Butyl-2-methylbenzimidazole?
You can request a quote for 1-Butyl-2-methylbenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-2-methylbenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-2-methylbenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.