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Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate
TL;DR: Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate (CAS 100880-52-2) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1H-benzimidazol-2-yl)benzoate
Also Known As: Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate, methyl 4-(1H-benzimidazol-2-yl)benzoate, methyl 4-(benzimidazol-2-yl)-benzoate, 2-(4-methoxycarbonylphenyl)benzimidazole, methyl 4-(1-H-benzimidazol-2-yl)benzoate
| Molecular Formula | C15H12N2O2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 3.0165 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08987 |
| Heavy Atoms | 19 |
| Complexity | 696.2452 |
Chemical Identifiers
| CAS Number | 100880-52-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2 |
Product Overview
Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate (CAS 100880-52-2), with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol. IUPAC: methyl 4-(1H-benzimidazol-2-yl)benzoate.
Chemical Property Profile of Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate
Property Insights of Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate
The XLogP value of 3.0165 indicates that Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate has 1 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 Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate?
The CAS number of Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate is 100880-52-2.
What is the molecular formula of Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate?
The molecular formula of Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate is C15H12N2O2.
What is the molecular weight of Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate?
The molecular weight of Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate is 252.09 g/mol.
Where can I buy Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate?
You can request a quote for Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(1H-benzo[d]imidazol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.