2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile
TL;DR: 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile (CAS 5692-74-0) is a chemical compound with molecular formula C9H7N3 and molecular weight 157.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dihydrobenzimidazol-2-ylidene)acetonitrile
Also Known As: delta2,alpha-Benzimidazolineacetonitrile (8CI)
| Molecular Formula | C9H7N3 |
|---|---|
| Molecular Weight | 157.06 g/mol |
| LogP | 1.88898 |
| Topological Polar Surface Area | 47.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.064 |
| Heavy Atoms | 12 |
| Complexity | 346.6052 |
Chemical Identifiers
| CAS Number | 5692-74-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=CC#N)N2 |
Product Overview
2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile (CAS 5692-74-0), with molecular formula C9H7N3 and molecular weight 157.06 g/mol. IUPAC: 2-(1,3-dihydrobenzimidazol-2-ylidene)acetonitrile.
Chemical Property Profile of 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile
Property Insights of 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile
The XLogP value of 1.88898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile. With a topological polar surface area (TPSA) of 47.85 Ų, 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile 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-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile?
The CAS number of 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile is 5692-74-0.
What is the molecular formula of 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile?
The molecular formula of 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile is C9H7N3.
What is the molecular weight of 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile?
The molecular weight of 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile is 157.06 g/mol.
Where can I buy 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile?
You can request a quote for 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dihydrobenzimidazol-2-ylidene)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.