(2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid
TL;DR: (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid (CAS 1052536-14-7) is a chemical compound with molecular formula C12H16BrN3O2 and molecular weight 313.0426 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-imino-3-propylbenzimidazol-1-yl)acetic acid;hydrobromide
Also Known As: (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid, 2-(2-imino-3-propyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetic acid hydrobromide
Technical Specifications
| Molecular Formula | C12H16BrN3O2 |
| Molecular Weight | 313.0426 g/mol |
| XLogP | 1.99477 |
| Topological Polar Surface Area (TPSA) | 67.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0426 Da |
| Heavy Atoms | 18 |
| Complexity | 319.0 |
| SMILES | CCCN1C2=CC=CC=C2N(C1=N)CC(=O)O.Br |
| InChIKey | XZAFNBXSLHACIF-UHFFFAOYSA-N |
Chemical Property Profile of (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid
Property Insights of (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid
The XLogP value of 1.99477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid. Following Lipinski's Rule of Five, (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid has 3 hydrogen bond donor(s) and 3 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-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid?
The CAS number of (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid is 1052536-14-7.
What is the molecular formula of (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid?
The molecular formula of (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid is C12H16BrN3O2.
What is the molecular weight of (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid?
The molecular weight of (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid is 313.0426 g/mol.
Where can I buy (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid?
You can request a quote for (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid?
Yes, CoreyChem provides custom synthesis services for (2-Imino-3-propyl-2,3-dihydro-benzoimidazol-1-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.