5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 396720-84-6) is a chemical compound with molecular formula C12H8N4O3 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzimidazol-2-ylidenemethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
Also Known As: 5-(1H-benzimidazol-2-ylmethylidene)-1,3-diazinane-2,4,6-trione, 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione, (5Z)-5-(1H-benzimidazol-2-ylmethylidene)-2,6-dihydroxypyrimidin-4(5H)-one, 5-((1H-benzo[d]imidazol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C12H8N4O3 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.05963 |
| Heavy Atoms | 19 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 396720-84-6 |
|---|---|
| SMILES | C1=CC2=NC(=CC3=C(NC(=O)NC3=O)O)N=C2C=C1 |
| InChIKey | VKBLSVFTXZRZIH-UHFFFAOYSA-N |
Product Overview
5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 396720-84-6), with molecular formula C12H8N4O3 and molecular weight 256.06 g/mol. IUPAC: 5-(benzimidazol-2-ylidenemethyl)-6-hydroxy-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of -0.7 indicates that 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione has 3 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-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 396720-84-6.
What is the molecular formula of 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is C12H8N4O3.
What is the molecular weight of 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 256.06 g/mol.
Where can I buy 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1H-Benzimidazol-2-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.