3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile
TL;DR: 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile (CAS 253605-91-3) is a chemical compound with molecular formula C17H12IN3O and molecular weight 401.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile
Also Known As: Maybridge4_000593, IDI1_031175, BRD-A65482417-001-01-4, 3-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile, 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile
| Molecular Formula | C17H12IN3O |
|---|---|
| Molecular Weight | 401.00 g/mol |
| LogP | 3.66798 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.0025 |
| Heavy Atoms | 22 |
| Complexity | 907.6532 |
Chemical Identifiers
| CAS Number | 253605-91-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=CC=CC=C3I |
Product Overview
3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile (CAS 253605-91-3), with molecular formula C17H12IN3O and molecular weight 401.00 g/mol. IUPAC: 3-(2-iodophenyl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile
Property Insights of 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile
The XLogP value of 3.66798 indicates that 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile 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 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile?
The CAS number of 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile is 253605-91-3.
What is the molecular formula of 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile?
The molecular formula of 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile is C17H12IN3O.
What is the molecular weight of 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile?
The molecular weight of 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile is 401.00 g/mol.
Where can I buy 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile?
You can request a quote for 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-iodophenyl)-2-(1-methyl-1H-benzimidazol-2-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.