1-benzyl-1H-imidazole-2-carbaldehyde
TL;DR: 1-benzyl-1H-imidazole-2-carbaldehyde (CAS 10045-65-5) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylimidazole-2-carbaldehyde
Also Known As: 1-Benzyl-1H-imidazole-2-carbaldehyde, 1-benzylimidazole-2-carbaldehyde, 1-Benzyl-2-formylimidazole, 1H-Imidazole-2-carboxaldehyde, 1-(phenylmethyl)-, 5-Fluoro-2-nitropyridine
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 10045-65-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=CN=C2C=O |
| InChIKey | AKFHFMMKMUJLBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-benzyl-1H-imidazole-2-carbaldehyde (CAS 10045-65-5), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: 1-benzylimidazole-2-carbaldehyde.
Chemical Property Profile of 1-benzyl-1H-imidazole-2-carbaldehyde
Property Insights of 1-benzyl-1H-imidazole-2-carbaldehyde
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-1H-imidazole-2-carbaldehyde. With a topological polar surface area (TPSA) of 34.9 Ų, 1-benzyl-1H-imidazole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-1H-imidazole-2-carbaldehyde has 0 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 1-benzyl-1H-imidazole-2-carbaldehyde?
The CAS number of 1-benzyl-1H-imidazole-2-carbaldehyde is 10045-65-5.
What is the molecular formula of 1-benzyl-1H-imidazole-2-carbaldehyde?
The molecular formula of 1-benzyl-1H-imidazole-2-carbaldehyde is C11H10N2O.
What is the molecular weight of 1-benzyl-1H-imidazole-2-carbaldehyde?
The molecular weight of 1-benzyl-1H-imidazole-2-carbaldehyde is 186.08 g/mol.
Where can I buy 1-benzyl-1H-imidazole-2-carbaldehyde?
You can request a quote for 1-benzyl-1H-imidazole-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-1H-imidazole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-1H-imidazole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.