Benzimidazole, 2-butyl-
TL;DR: Benzimidazole, 2-butyl- (CAS 5851-44-5) 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-butyl-1H-benzimidazole
Also Known As: 2-Butyl-1H-benzimidazole, 2-Butylbenzimidazole, 2-butyl-benzimidazol, 1H-Benzimidazole, 2-butyl-, 2-butyl-1H-1,3-benzodiazole
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
| Melting Point | 153 - 154 °C |
| Solubility | >26.1 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 5851-44-5 |
|---|---|
| SMILES | CCCCC1=NC2=CC=CC=C2N1 |
| InChIKey | HITWHALOZBMLHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzimidazole, 2-butyl- (CAS 5851-44-5), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 2-butyl-1H-benzimidazole.
Chemical Property Profile of Benzimidazole, 2-butyl-
Property Insights of Benzimidazole, 2-butyl-
The XLogP value of 3.0 indicates that Benzimidazole, 2-butyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, Benzimidazole, 2-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazole, 2-butyl- 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 Benzimidazole, 2-butyl-?
The CAS number of Benzimidazole, 2-butyl- is 5851-44-5.
What is the molecular formula of Benzimidazole, 2-butyl-?
The molecular formula of Benzimidazole, 2-butyl- is C11H14N2.
What is the molecular weight of Benzimidazole, 2-butyl-?
The molecular weight of Benzimidazole, 2-butyl- is 174.12 g/mol.
Where can I buy Benzimidazole, 2-butyl-?
You can request a quote for Benzimidazole, 2-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 2-butyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 2-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.