1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-
TL;DR: 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- (CAS 89372-45-2) is a chemical compound with molecular formula C17H19N3O and molecular weight 281.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(imidazole-1-carbonyl)-3,3-dimethylbutyl]benzonitrile
Also Known As: 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-, Benzonitrile,4-[2-(1H-imidazol-1-ylcarbonyl)-3,3-dimethylbutyl]-, 4-[2-(imidazole-1-carbonyl)-3,3-dimethyl-butyl]benzonitrile, 4-[2-(imidazole-1-carbonyl)-3,3-dimethylbutyl]benzonitrile, 4-[2-(1H-Imidazole-1-carbonyl)-3,3-dimethylbutyl]benzonitrile
| Molecular Formula | C17H19N3O |
|---|---|
| Molecular Weight | 281.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1528 |
| Heavy Atoms | 21 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 89372-45-2 |
|---|---|
| SMILES | CC(C)(C)C(CC1=CC=C(C=C1)C#N)C(=O)N2C=CN=C2 |
| InChIKey | LNYNGUUPDXWYRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- (CAS 89372-45-2), with molecular formula C17H19N3O and molecular weight 281.15 g/mol. IUPAC: 4-[2-(imidazole-1-carbonyl)-3,3-dimethylbutyl]benzonitrile.
Chemical Property Profile of 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-
Property Insights of 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-
The XLogP value of 3.3 indicates that 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.7 Ų, 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- has 0 hydrogen bond donor(s) and 3 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-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
The CAS number of 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- is 89372-45-2.
What is the molecular formula of 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
The molecular formula of 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- is C17H19N3O.
What is the molecular weight of 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
The molecular weight of 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- is 281.15 g/mol.
Where can I buy 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
You can request a quote for 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 1-(2-((4-cyanophenyl)methyl)-3,3-dimethyl-1-oxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.