2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile (CAS 65743-15-9) is a chemical compound with molecular formula C13H13N3 and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-methylpent-2-enenitrile
Also Known As: 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile, (E)-2-(1H-benzimidazol-2-yl)-3-methylpent-2-enenitrile, (2E)-2-(1H-benzimidazol-2-yl)-3-methylpent-2-enenitrile
| Molecular Formula | C13H13N3 |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 3.26998 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.11095 |
| Heavy Atoms | 16 |
| Complexity | 551.48865 |
Chemical Identifiers
| CAS Number | 65743-15-9 |
|---|---|
| SMILES | CC/C(=C(\C#N)/C1=NC2=CC=CC=C2N1)/C |
Product Overview
2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile (CAS 65743-15-9), with molecular formula C13H13N3 and molecular weight 211.11 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-methylpent-2-enenitrile.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile
The XLogP value of 3.26998 indicates that 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile has 1 hydrogen bond donor(s) and 2 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-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile is 65743-15-9.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile is C13H13N3.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile is 211.11 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-methyl-2-pentenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.