2,6-di(1H-imidazol-1-yl)benzenecarbonitrile
TL;DR: 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile (CAS 285987-29-3) is a chemical compound with molecular formula C13H9N5 and molecular weight 235.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-di(imidazol-1-yl)benzonitrile
Also Known As: 2,6-bis(1H-imidazol-1-yl)benzonitrile, 2,6-di(imidazol-1-yl)benzonitrile, 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile, Bionet2_000159, 8B-024
| Molecular Formula | C13H9N5 |
|---|---|
| Molecular Weight | 235.09 g/mol |
| LogP | 1.92968 |
| Topological Polar Surface Area | 59.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.0858 |
| Heavy Atoms | 18 |
| Complexity | 637.0693 |
Chemical Identifiers
| CAS Number | 285987-29-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)N2C=CN=C2)C#N)N3C=CN=C3 |
Product Overview
2,6-di(1H-imidazol-1-yl)benzenecarbonitrile (CAS 285987-29-3), with molecular formula C13H9N5 and molecular weight 235.09 g/mol. IUPAC: 2,6-di(imidazol-1-yl)benzonitrile.
Chemical Property Profile of 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile
Property Insights of 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile
The XLogP value of 1.92968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile. With a topological polar surface area (TPSA) of 59.43 Ų, 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile 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 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile?
The CAS number of 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile is 285987-29-3.
What is the molecular formula of 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile?
The molecular formula of 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile is C13H9N5.
What is the molecular weight of 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile?
The molecular weight of 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile is 235.09 g/mol.
Where can I buy 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile?
You can request a quote for 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-di(1H-imidazol-1-yl)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.