![1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one structure](/static/products/917/917218-90-7.webp)
1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one
TL;DR: 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one (CAS 917218-90-7) is a chemical compound with molecular formula C19H20N2O4S and molecular weight 372.11438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzenesulfonyl)-3-(3,3-dimethyl-2-oxobutyl)benzimidazol-2-one
Also Known As: 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one, 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1,3-dihydro-2H-benzimidazol-2-one
Technical Specifications
| Molecular Formula | C19H20N2O4S |
| Molecular Weight | 372.11438 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.11438 Da |
| Heavy Atoms | 26 |
| Complexity | 656.0 |
| SMILES | CC(C)(C)C(=O)CN1C2=CC=CC=C2N(C1=O)S(=O)(=O)C3=CC=CC=C3 |
| InChIKey | DDNYYVKERSMMBP-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one
Property Insights of 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one
The XLogP value of 3.2 indicates that 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one. Following Lipinski's Rule of Five, 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one has 0 hydrogen bond donor(s) and 4 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-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one?
The CAS number of 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one is 917218-90-7.
What is the molecular formula of 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one?
The molecular formula of 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one is C19H20N2O4S.
What is the molecular weight of 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one?
The molecular weight of 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one is 372.11438 g/mol.
Where can I buy 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one?
You can request a quote for 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one?
Yes, CoreyChem provides custom synthesis services for 1-(3,3-dimethyl-2-oxobutyl)-3-(phenylsulfonyl)-1H-benzo[d]imidazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.