4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one
TL;DR: 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one (CAS 100039-64-3) is a chemical compound with molecular formula C21H15N5OS and molecular weight 385.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(indol-1-ylmethylidene)-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Also Known As: 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one, 4H-Imidazol-4-one, 3,5-dihydro-5-(1H-indolylmethylene)-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-, 2-Imidazolin-5-one, 4-(1-indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-, (5Z)-5-(indol-1-ylmethylidene)-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)imidazol-4-one, 4H-IMIDAZOL-4-ONE, 3,5-DIHYDRO-5-(1H-INDOLYLMETHYLENE)-2-METHYL-3-(5-PHENYL-1,3,
| Molecular Formula | C21H15N5OS |
|---|---|
| Molecular Weight | 385.10 g/mol |
| LogP | 4.4234 |
| Topological Polar Surface Area | 63.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.09973 |
| Heavy Atoms | 28 |
| Complexity | 1252.0504 |
Chemical Identifiers
| CAS Number | 100039-64-3 |
|---|---|
| SMILES | CC1=N/C(=C\N2C=CC3=CC=CC=C32)/C(=O)N1C4=NN=C(S4)C5=CC=CC=C5 |
Product Overview
4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one (CAS 100039-64-3), with molecular formula C21H15N5OS and molecular weight 385.10 g/mol. IUPAC: (5Z)-5-(indol-1-ylmethylidene)-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)imidazol-4-one.
Chemical Property Profile of 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one
Property Insights of 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one
The XLogP value of 4.4234 indicates that 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one. Following Lipinski's Rule of Five, 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-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 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one?
The CAS number of 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one is 100039-64-3.
What is the molecular formula of 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one?
The molecular formula of 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one is C21H15N5OS.
What is the molecular weight of 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one?
The molecular weight of 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one is 385.10 g/mol.
Where can I buy 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one?
You can request a quote for 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Indolylmethylene)-2-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-imidazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.