(1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile
TL;DR: (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile (CAS 63823-75-6) is a chemical compound with molecular formula C9H6N4O and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-2-hydroxyiminoacetonitrile
Also Known As: (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile, (E)-1H-1,3-benzodiazole-2-carbonimidoyl cyanide, alpha-hydroxyimino-(1h-benzimidazol-2-yl) acetonitrile, (2E)-2-(1H-benzimidazol-2-yl)-2-hydroxyimino-acetonitrile, 1H-Benzimidazole-2-acetonitrile,alpha-(hydroxyimino)-(9CI)
| Molecular Formula | C9H6N4O |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 1.26478 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.05415 |
| Heavy Atoms | 14 |
| Complexity | 501.98068 |
Chemical Identifiers
| CAS Number | 63823-75-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(=NO)C#N |
Product Overview
(1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile (CAS 63823-75-6), with molecular formula C9H6N4O and molecular weight 186.05 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-2-hydroxyiminoacetonitrile.
Chemical Property Profile of (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile
Property Insights of (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile
The XLogP value of 1.26478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile. The TPSA of 85.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile. Following Lipinski's Rule of Five, (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile has 2 hydrogen bond donor(s) and 4 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-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile?
The CAS number of (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile is 63823-75-6.
What is the molecular formula of (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile?
The molecular formula of (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile is C9H6N4O.
What is the molecular weight of (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile?
The molecular weight of (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile is 186.05 g/mol.
Where can I buy (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile?
You can request a quote for (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1H-Benzoimidazol-2-yl)-hydroxyimino-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.