Methyl 4-(1H-imidazol-1-yl)benzoate
TL;DR: Methyl 4-(1H-imidazol-1-yl)benzoate (CAS 101184-08-1) is a chemical compound with molecular formula C11H10N2O2 and molecular weight 202.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-imidazol-1-ylbenzoate
Also Known As: Methyl 4-(1H-imidazol-1-yl)benzoate, null, methyl 4-(1H-imidazol-1-yl)benzenecarboxylate, methyl 4-imidazol-1-ylbenzoate, Bionet2_000221
Technical Specifications
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.07423 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.07423 Da |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)N2C=CN=C2 |
| InChIKey | KUBBZTZQWIGHFH-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(1H-imidazol-1-yl)benzoate
Property Insights of Methyl 4-(1H-imidazol-1-yl)benzoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(1H-imidazol-1-yl)benzoate. With a topological polar surface area (TPSA) of 44.1 Ų, Methyl 4-(1H-imidazol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(1H-imidazol-1-yl)benzoate 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
What is the CAS number of Methyl 4-(1H-imidazol-1-yl)benzoate?
The CAS number of Methyl 4-(1H-imidazol-1-yl)benzoate is 101184-08-1.
What is the molecular formula of Methyl 4-(1H-imidazol-1-yl)benzoate?
The molecular formula of Methyl 4-(1H-imidazol-1-yl)benzoate is C11H10N2O2.
What is the molecular weight of Methyl 4-(1H-imidazol-1-yl)benzoate?
The molecular weight of Methyl 4-(1H-imidazol-1-yl)benzoate is 202.07423 g/mol.
Where can I buy Methyl 4-(1H-imidazol-1-yl)benzoate?
You can request a quote for Methyl 4-(1H-imidazol-1-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(1H-imidazol-1-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(1H-imidazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.