3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium
TL;DR: 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium (CAS 112097-81-1) is a chemical compound with molecular formula C17H16ClN3O and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N,N-diphenylimidazol-3-ium-1-carboxamide chloride
Also Known As: 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium, 1-(diphenylcarbamoyl)-3-methyl-1H-imidazol-3-ium chloride
| Molecular Formula | C17H16ClN3O |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 0.123 |
| Topological Polar Surface Area | 29.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.09818 |
| Heavy Atoms | 22 |
| Complexity | 701.36523 |
Chemical Identifiers
| CAS Number | 112097-81-1 |
|---|---|
| SMILES | C[N+]1=CN(C=C1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
Product Overview
3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium (CAS 112097-81-1), with molecular formula C17H16ClN3O and molecular weight 313.10 g/mol. IUPAC: 3-methyl-N,N-diphenylimidazol-3-ium-1-carboxamide chloride.
Chemical Property Profile of 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium
Property Insights of 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium
The XLogP value of 0.123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium. With a topological polar surface area (TPSA) of 29.12 Ų, 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium has 0 hydrogen bond donor(s) and 1 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-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium?
The CAS number of 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium is 112097-81-1.
What is the molecular formula of 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium?
The molecular formula of 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium is C17H16ClN3O.
What is the molecular weight of 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium?
The molecular weight of 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium is 313.10 g/mol.
Where can I buy 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium?
You can request a quote for 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 3-Diphenylcarbamoyl-1-methyl-3H-imidazol-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.