2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile
TL;DR: 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile (CAS 40540-17-8) is a chemical compound with molecular formula C12H10N4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethyl-3H-benzimidazol-5-ylidene)propanedinitrile
Also Known As: 2-(2,2-dimethyl-3H-benzimidazol-5-ylidene)propanedinitrile, 2,2-dimethyl-5-dicyanomethylene-3,5-dihydro-2h-benzimidazole, 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile, 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)propanedinitrile, 2-(2,2-dimethyl-1H-benzo[d]imidazol-6(2H)-ylidene)malononitrile
| Molecular Formula | C12H10N4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 0.66566 |
| Topological Polar Surface Area | 71.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.09055 |
| Heavy Atoms | 16 |
| Complexity | 625.0671 |
Chemical Identifiers
| CAS Number | 40540-17-8 |
|---|---|
| SMILES | CC1(NC2=CC(=C(C#N)C#N)C=CC2=N1)C |
Product Overview
2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile (CAS 40540-17-8), with molecular formula C12H10N4 and molecular weight 210.09 g/mol. IUPAC: 2-(2,2-dimethyl-3H-benzimidazol-5-ylidene)propanedinitrile.
Chemical Property Profile of 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile
Property Insights of 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile
The XLogP value of 0.66566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile. The TPSA of 71.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile. Following Lipinski's Rule of Five, 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile has 1 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 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile?
The CAS number of 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile is 40540-17-8.
What is the molecular formula of 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile?
The molecular formula of 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile is C12H10N4.
What is the molecular weight of 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile?
The molecular weight of 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile is 210.09 g/mol.
Where can I buy 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile?
You can request a quote for 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)-propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.