RefChem:1091387
TL;DR: RefChem:1091387 (CAS 117651-71-5) is a chemical compound with molecular formula C20H27ClN4O and molecular weight 374.18735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide;hydrochloride
Also Known As: 1-Methyl-2-iminobenzimidazoline-3-acetic acid N-adamantylamide hydrochloride, 1H-Benzimidazole-1-acetamide, 2,3-dihydro-2-imino-3-methyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, monohydrochloride, 2,3-Dihydro-2-imino-3-methyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-1H-benzimidazole-1-acetamide monohydrochloride, N-(Adamantan-1-yl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanimidic acid--hydrogen chloride (1/1), N-(1-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide hydrochloride
Technical Specifications
| Molecular Formula | C20H27ClN4O |
| Molecular Weight | 374.18735 g/mol |
| XLogP | 2.97 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.18735 Da |
| Heavy Atoms | 26 |
| Complexity | 547.0 |
| SMILES | CN1C2=CC=CC=C2N(C1=N)CC(=O)NC34CC5CC(C3)CC(C5)C4.Cl |
| InChIKey | CNJLIKJETFGYER-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1091387
Property Insights of RefChem:1091387
The XLogP value of 2.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1091387. With a topological polar surface area (TPSA) of 59.4 Ų, RefChem:1091387 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1091387 has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1091387?
The CAS number of RefChem:1091387 is 117651-71-5.
What is the molecular formula of RefChem:1091387?
The molecular formula of RefChem:1091387 is C20H27ClN4O.
What is the molecular weight of RefChem:1091387?
The molecular weight of RefChem:1091387 is 374.18735 g/mol.
Where can I buy RefChem:1091387?
You can request a quote for RefChem:1091387 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1091387?
Yes, CoreyChem provides custom synthesis services for RefChem:1091387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.