![2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline structure](/static/products/1595/159557-21-8.webp)
2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CAS 159557-21-8) is a chemical compound with molecular formula C17H17N3 and molecular weight 263.14224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-benzimidazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline
Also Known As: 2-(1H-benzimidazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline, 2-(1H-benzimidazol-2-ylmethyl)-1,2,3,4-tetrahydroIsoquinoline, 2-(1H-benzoimidazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline, 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H17N3 |
| Molecular Weight | 263.14224 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 31.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.14224 Da |
| Heavy Atoms | 20 |
| Complexity | 332.0 |
| SMILES | C1CN(CC2=CC=CC=C21)CC3=NC4=CC=CC=C4N3 |
| InChIKey | CBBPAVLWWDNEAA-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 31.9 Ų, 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has 1 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 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is 159557-21-8.
What is the molecular formula of 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is C17H17N3.
What is the molecular weight of 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is 263.14224 g/mol.
Where can I buy 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
Yes, CoreyChem provides custom synthesis services for 2-[(1H-1,3-benzodiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.