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2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
TL;DR: 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 121105-86-0) is a chemical compound with molecular formula C20H14ClN3 and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: ChemDiv3_001505, BAS 00588838, 2-benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, IDI1_020471, 2-benzyl-1-chloro-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
| Molecular Formula | C20H14ClN3 |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.08762 |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 121105-86-0 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)Cl)C#N |
| InChIKey | ODTDABKCLACUAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 121105-86-0), with molecular formula C20H14ClN3 and molecular weight 331.09 g/mol. IUPAC: 2-benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Property Insights of 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
The XLogP value of 6.2 indicates that 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The CAS number of 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is 121105-86-0.
What is the molecular formula of 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular formula of 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is C20H14ClN3.
What is the molecular weight of 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular weight of 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is 331.09 g/mol.
Where can I buy 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
You can request a quote for 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.