1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one
TL;DR: 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one (CAS 1020252-19-0) is a chemical compound with molecular formula C9H12Cl2N2O and molecular weight 234.03267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4,5-dichloroimidazol-1-yl)-3,3-dimethylbutan-2-one
Also Known As: 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one, 1-(4,5-DICHLOROIMIDAZOLYL)-3,3-DIMETHYLBUTAN-2-ONE, 1-(4,5-dichloroimidazol-1-yl)-3,3-dimethylbutan-2-one, 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethyl-2-butanone, 1-(4,5-dichloroimidazol-1-yl)-3,3-dimethyl-butan-2-one
Technical Specifications
| Molecular Formula | C9H12Cl2N2O |
| Molecular Weight | 234.03267 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.03267 Da |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| SMILES | CC(C)(C)C(=O)CN1C=NC(=C1Cl)Cl |
| InChIKey | BGKMCAYBCDYDHG-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one
Property Insights of 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one
The XLogP value of 3.2 indicates that 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one?
The CAS number of 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one is 1020252-19-0.
What is the molecular formula of 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one?
The molecular formula of 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one is C9H12Cl2N2O.
What is the molecular weight of 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one?
The molecular weight of 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one is 234.03267 g/mol.
Where can I buy 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one?
You can request a quote for 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one?
Yes, CoreyChem provides custom synthesis services for 1-(4,5-dichloro-1H-imidazol-1-yl)-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.