1,3-Benzimidazolinediacetonitrile, 2-oxo-
TL;DR: 1,3-Benzimidazolinediacetonitrile, 2-oxo- (CAS 73688-74-1) is a chemical compound with molecular formula C11H8N4O and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(cyanomethyl)-2-oxobenzimidazol-1-yl]acetonitrile
Also Known As: 2-Benzimidazole-1,3-diacetonitrile, 1,3-Benzimidazolinediacetonitrile, 2-oxo-, 2-Oxo-1,3-benzimidazolinediacetonitrile, 2-[3-(cyanomethyl)-2-oxobenzimidazol-1-yl]acetonitrile, 2-Oxo-1H-benzimidazole-1,3 -diacetonitrile
| Molecular Formula | C11H8N4O |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 0.85016 |
| Topological Polar Surface Area | 74.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.06981 |
| Heavy Atoms | 16 |
| Complexity | 609.8201 |
Chemical Identifiers
| CAS Number | 73688-74-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)N2CC#N)CC#N |
Product Overview
1,3-Benzimidazolinediacetonitrile, 2-oxo- (CAS 73688-74-1), with molecular formula C11H8N4O and molecular weight 212.07 g/mol. IUPAC: 2-[3-(cyanomethyl)-2-oxobenzimidazol-1-yl]acetonitrile.
Chemical Property Profile of 1,3-Benzimidazolinediacetonitrile, 2-oxo-
Property Insights of 1,3-Benzimidazolinediacetonitrile, 2-oxo-
The XLogP value of 0.85016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzimidazolinediacetonitrile, 2-oxo-. The TPSA of 74.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzimidazolinediacetonitrile, 2-oxo-. Following Lipinski's Rule of Five, 1,3-Benzimidazolinediacetonitrile, 2-oxo- has 0 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 1,3-Benzimidazolinediacetonitrile, 2-oxo-?
The CAS number of 1,3-Benzimidazolinediacetonitrile, 2-oxo- is 73688-74-1.
What is the molecular formula of 1,3-Benzimidazolinediacetonitrile, 2-oxo-?
The molecular formula of 1,3-Benzimidazolinediacetonitrile, 2-oxo- is C11H8N4O.
What is the molecular weight of 1,3-Benzimidazolinediacetonitrile, 2-oxo-?
The molecular weight of 1,3-Benzimidazolinediacetonitrile, 2-oxo- is 212.07 g/mol.
Where can I buy 1,3-Benzimidazolinediacetonitrile, 2-oxo-?
You can request a quote for 1,3-Benzimidazolinediacetonitrile, 2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzimidazolinediacetonitrile, 2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzimidazolinediacetonitrile, 2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.