1H-Benzimidazole, 2-(3-methylbutyl)-
TL;DR: 1H-Benzimidazole, 2-(3-methylbutyl)- (CAS 946-18-9) 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.
2-(3-methylbutyl)-1H-benzimidazole
Also Known As: 2-(3-Methylbutyl)-1H-benzimidazole, 1H-Benzimidazole, 2-(3-methylbutyl)-, 2-isopentyl-1H-benzo[d]imidazole, 2-(3-Methylbutyl)-1H-1,3-benzimidazole, 1H-Benzimidazole, 2-(3-methylbutyl)- (9CI)
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 946-18-9 |
|---|---|
| SMILES | CC(C)CCC1=NC2=CC=CC=C2N1 |
| InChIKey | WZJCXUYUKDHVTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Benzimidazole, 2-(3-methylbutyl)- (CAS 946-18-9), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 2-(3-methylbutyl)-1H-benzimidazole.
Chemical Property Profile of 1H-Benzimidazole, 2-(3-methylbutyl)-
Property Insights of 1H-Benzimidazole, 2-(3-methylbutyl)-
The XLogP value of 3.3 indicates that 1H-Benzimidazole, 2-(3-methylbutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, 1H-Benzimidazole, 2-(3-methylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzimidazole, 2-(3-methylbutyl)- 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 1H-Benzimidazole, 2-(3-methylbutyl)-?
The CAS number of 1H-Benzimidazole, 2-(3-methylbutyl)- is 946-18-9.
What is the molecular formula of 1H-Benzimidazole, 2-(3-methylbutyl)-?
The molecular formula of 1H-Benzimidazole, 2-(3-methylbutyl)- is C12H16N2.
What is the molecular weight of 1H-Benzimidazole, 2-(3-methylbutyl)-?
The molecular weight of 1H-Benzimidazole, 2-(3-methylbutyl)- is 188.13 g/mol.
Where can I buy 1H-Benzimidazole, 2-(3-methylbutyl)-?
You can request a quote for 1H-Benzimidazole, 2-(3-methylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole, 2-(3-methylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole, 2-(3-methylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.