IDI1_022913
TL;DR: IDI1_022913 (CAS 1164504-69-1) is a chemical compound with molecular formula C22H22N4O2 and molecular weight 374.1743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-1,3-dimethylbenzimidazol-2-one
Also Known As: IDI1_022913, AN-988/41693311, BRD-K23217250-001-01-3, 5-[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-1,3-dimethylbenzimidazol-2-one, 5-{[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Technical Specifications
| Molecular Formula | C22H22N4O2 |
| Molecular Weight | 374.1743 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 56.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.1743 Da |
| Heavy Atoms | 28 |
| Complexity | 730.0 |
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=CC4=C(C=C3)N(C(=O)N4C)C)/C(=N2)C)C |
| InChIKey | QQXLIUIMNLAKPS-WOJGMQOQSA-N |
Chemical Property Profile of IDI1_022913
Property Insights of IDI1_022913
The XLogP value of 3.1 indicates that IDI1_022913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, IDI1_022913 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IDI1_022913 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
What is the CAS number of IDI1_022913?
The CAS number of IDI1_022913 is 1164504-69-1.
What is the molecular formula of IDI1_022913?
The molecular formula of IDI1_022913 is C22H22N4O2.
What is the molecular weight of IDI1_022913?
The molecular weight of IDI1_022913 is 374.1743 g/mol.
Where can I buy IDI1_022913?
You can request a quote for IDI1_022913 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for IDI1_022913?
Yes, CoreyChem provides custom synthesis services for IDI1_022913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.