1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo-
TL;DR: 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo- (CAS 889964-08-3) is a chemical compound with molecular formula C9H4N4O and molecular weight 184.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-1,3-dihydrobenzimidazole-5,6-dicarbonitrile
Also Known As: 2-oxo-3-hydrobenzimidazole-5,6-dicarbonitrile, 2-Hydroxy-1H-benzo[d]imidazole-5,6-dicarbonitrile, 2-oxo-1,3-dihydrobenzimidazole-5,6-dicarbonitrile, 2-oxo-2,3-dihydro-1H-benzimidazole-5,6-dicarbonitrile, A3942/0167890
| Molecular Formula | C9H4N4O |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 0.59956 |
| Topological Polar Surface Area | 96.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.03851 |
| Heavy Atoms | 14 |
| Complexity | 581.34644 |
Chemical Identifiers
| CAS Number | 889964-08-3 |
|---|---|
| SMILES | C1=C(C(=CC2=C1NC(=O)N2)C#N)C#N |
Product Overview
1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo- (CAS 889964-08-3), with molecular formula C9H4N4O and molecular weight 184.04 g/mol. IUPAC: 2-oxo-1,3-dihydrobenzimidazole-5,6-dicarbonitrile.
Chemical Property Profile of 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo-
Property Insights of 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo-
The XLogP value of 0.59956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo-. The TPSA of 96.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo-. Following Lipinski's Rule of Five, 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo- has 2 hydrogen bond donor(s) and 3 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 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo-?
The CAS number of 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo- is 889964-08-3.
What is the molecular formula of 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo-?
The molecular formula of 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo- is C9H4N4O.
What is the molecular weight of 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo-?
The molecular weight of 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo- is 184.04 g/mol.
Where can I buy 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo-?
You can request a quote for 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,3-Benzimidazole-5,6-dicarbonitrile, 2,3-dihydro-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.