1-Cyclohexyl-3H-1,3-benzodiazol-2-one
TL;DR: 1-Cyclohexyl-3H-1,3-benzodiazol-2-one (CAS 100615-14-3) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-cyclohexyl-1H-benzimidazol-2-one
Also Known As: 1-Cyclohexyl-3H-1,3-benzodiazol-2-one, 3-cyclohexyl-1H-benzimidazol-2-one, 1-Cyclohexyl-1H-benzo[d]imidazol-2(3H)-one, 1-cyclohexyl-2,3-dihydro-1H-1,3-benzodiazol-2-one, 1-cyclohexyl-3-hydrobenzimidazol-2-one
Technical Specifications
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.12627 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.12627 Da |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
| SMILES | C1CCC(CC1)N2C3=CC=CC=C3NC2=O |
| InChIKey | KQPGCWWXPPKEOL-UHFFFAOYSA-N |
Chemical Property Profile of 1-Cyclohexyl-3H-1,3-benzodiazol-2-one
Property Insights of 1-Cyclohexyl-3H-1,3-benzodiazol-2-one
The XLogP value of 3.2 indicates that 1-Cyclohexyl-3H-1,3-benzodiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 1-Cyclohexyl-3H-1,3-benzodiazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexyl-3H-1,3-benzodiazol-2-one 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
What is the CAS number of 1-Cyclohexyl-3H-1,3-benzodiazol-2-one?
The CAS number of 1-Cyclohexyl-3H-1,3-benzodiazol-2-one is 100615-14-3.
What is the molecular formula of 1-Cyclohexyl-3H-1,3-benzodiazol-2-one?
The molecular formula of 1-Cyclohexyl-3H-1,3-benzodiazol-2-one is C13H16N2O.
What is the molecular weight of 1-Cyclohexyl-3H-1,3-benzodiazol-2-one?
The molecular weight of 1-Cyclohexyl-3H-1,3-benzodiazol-2-one is 216.12627 g/mol.
Where can I buy 1-Cyclohexyl-3H-1,3-benzodiazol-2-one?
You can request a quote for 1-Cyclohexyl-3H-1,3-benzodiazol-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Cyclohexyl-3H-1,3-benzodiazol-2-one?
Yes, CoreyChem provides custom synthesis services for 1-Cyclohexyl-3H-1,3-benzodiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.