5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
TL;DR: 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one (CAS 76834-40-7) is a chemical compound with molecular formula C14H12N4OS and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Also Known As: 2-Methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-benzylidene-3,5-dihydro-4H-imidazol-4-one, 4H-Imidazol-4-one, 3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(phenylmethylene)-, 4H-Imidazol-4-one,3,5-dihydro-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(phenylmethylene)-
| Molecular Formula | C14H12N4OS |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.65262 |
| Topological Polar Surface Area | 58.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.07318 |
| Heavy Atoms | 20 |
| Complexity | 717.785 |
Chemical Identifiers
| CAS Number | 76834-40-7 |
|---|---|
| SMILES | CC1=NC(=CC2=CC=CC=C2)C(=O)N1C3=NN=C(S3)C |
Product Overview
5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one (CAS 76834-40-7), with molecular formula C14H12N4OS and molecular weight 284.07 g/mol. IUPAC: 5-benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one.
Chemical Property Profile of 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Property Insights of 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
The XLogP value of 2.65262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one. With a topological polar surface area (TPSA) of 58.45 Ų, 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one has 0 hydrogen bond donor(s) and 5 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 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one?
The CAS number of 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one is 76834-40-7.
What is the molecular formula of 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one?
The molecular formula of 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one is C14H12N4OS.
What is the molecular weight of 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one?
The molecular weight of 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one is 284.07 g/mol.
Where can I buy 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one?
You can request a quote for 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylidene-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.