2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile
TL;DR: 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile (CAS 158262-74-9) is a chemical compound with molecular formula C14H15N3O and molecular weight 241.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethylpent-2-enenitrile
Also Known As: 2-(3-HYDROBENZIMIDAZOL-2-YLIDENE)-4,4-DIMETHYL-3-OXOPENTANENITRILE, 2-(1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethyl-pent-2-enenitrile, 2-(1,3-dihydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxo-pentanenitrile, 2-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile
| Molecular Formula | C14H15N3O |
|---|---|
| Molecular Weight | 241.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.1215 |
| Heavy Atoms | 18 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 158262-74-9 |
|---|---|
| SMILES | CC(C)(C)C(=C(C#N)C1=NC2=CC=CC=C2N1)O |
| InChIKey | IUBYVTZBUZYMMG-UHFFFAOYSA-N |
Product Overview
2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile (CAS 158262-74-9), with molecular formula C14H15N3O and molecular weight 241.12 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-hydroxy-4,4-dimethylpent-2-enenitrile.
Chemical Property Profile of 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile
Property Insights of 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile. Following Lipinski's Rule of Five, 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile 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 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile?
The CAS number of 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile is 158262-74-9.
What is the molecular formula of 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile?
The molecular formula of 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile is C14H15N3O.
What is the molecular weight of 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile?
The molecular weight of 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile is 241.12 g/mol.
Where can I buy 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile?
You can request a quote for 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Hydrobenzimidazol-2-ylidene)-4,4-dimethyl-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.