TL;DR: 2-(4-aminobenzyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione (CAS 1008080-37-2) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-aminophenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
Also Known As: ZERO/005816, 2-(4-aminobenzyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione, 2-[(4-aminophenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione, 2-(4-Amino-benzyl)-tetrahydro-pyrrolo[1,2-c]imidazole-1,3-dione, 2-(4-aminobenzyl)tetrahydro-1{H}-pyrrolo[1,2-{c}]imidazole-1,3(2{H})-dione
| Molecular Formula | C13H15N3O2 |
| Molecular Weight | 245.11642 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.11642 Da |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
| SMILES | C1CC2C(=O)N(C(=O)N2C1)CC3=CC=C(C=C3)N |
| InChIKey | UZKMXLCYYHVHRC-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-aminobenzyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-aminobenzyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(4-aminobenzyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(4-aminobenzyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione is 1008080-37-2.
The molecular formula of 2-(4-aminobenzyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione is C13H15N3O2.
The molecular weight of 2-(4-aminobenzyl)tetrahydro-1H-pyrrolo[1,2-c]imidazole-1,3(2H)-dione is 245.11642 g/mol.
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