1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride
TL;DR: 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride (CAS 117651-73-7) is a chemical compound with molecular formula C23H33ClN4O and molecular weight 416.23428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-adamantyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)acetamide;hydrochloride
Also Known As: 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride, 1H-Benzimidazole-1-acetamide, 2,3-dihydro-3-butyl-2-imino-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, monohydrochloride, N-(2-adamantyl)-2-(3-butyl-2-iminobenzimidazol-1-yl)acetamide hydrochloride, N-(Adamantan-2-yl)(3-butyl-2-imino-2,3-dihydro-1H-1,3-benzimidazol-1-yl)ethanimidic acid--hydrogen chloride (1/1), N-(Adamantan-2-yl)-2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanimidic acid--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C23H33ClN4O |
| Molecular Weight | 416.23428 g/mol |
| XLogP | 4.08507 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.23428 Da |
| Heavy Atoms | 29 |
| Complexity | 592.0 |
| SMILES | CCCCN1C2=CC=CC=C2N(C1=N)CC(=O)NC3C4CC5CC(C4)CC3C5.Cl |
| InChIKey | HOCBNQVXIRDFOT-UHFFFAOYSA-N |
Chemical Property Profile of 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride
Property Insights of 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride
The XLogP value of 4.08507 indicates that 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride 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 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride?
The CAS number of 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride is 117651-73-7.
What is the molecular formula of 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride?
The molecular formula of 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride is C23H33ClN4O.
What is the molecular weight of 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride?
The molecular weight of 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride is 416.23428 g/mol.
Where can I buy 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride?
You can request a quote for 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride?
Yes, CoreyChem provides custom synthesis services for 1-Butyl-2-iminobenzimidazoline-3-acetic acid N-adamaniylamide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.