(2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile
TL;DR: (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile (CAS 1164533-46-3) is a chemical compound with molecular formula C17H16N4 and molecular weight 276.14 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-(1,2,5-trimethylpyrrol-3-yl)prop-2-enenitrile
Also Known As: (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile, (E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enenitrile, (E)-2-(1H-Benzoimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)-acrylonitrile, (E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethylpyrrol-3-yl)acrylonitrile, (E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-3-pyrrolyl)-2-propenenitrile
| Molecular Formula | C17H16N4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 3.58242 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.13748 |
| Heavy Atoms | 21 |
| Complexity | 854.2862 |
Chemical Identifiers
| CAS Number | 1164533-46-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C)C)/C=C(\C#N)/C2=NC3=CC=CC=C3N2 |
Product Overview
(2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile (CAS 1164533-46-3), with molecular formula C17H16N4 and molecular weight 276.14 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile
Property Insights of (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile
The XLogP value of 3.58242 indicates that (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile 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 (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile?
The CAS number of (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile is 1164533-46-3.
What is the molecular formula of (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile?
The molecular formula of (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile is C17H16N4.
What is the molecular weight of (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile?
The molecular weight of (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile is 276.14 g/mol.
Where can I buy (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile?
You can request a quote for (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(1H-benzimidazol-2-yl)-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.