TL;DR: N-(3-(1H-imidazol-1-yl)propyl)-2-phenylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride (CAS 1049750-67-5) is a chemical compound with molecular formula C22H20ClN5O and molecular weight 405.13565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-imidazol-1-ylpropyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
Also Known As: N-(3-(1H-imidazol-1-yl)propyl)-2-phenylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride, (3-Imidazol-1-yl-propyl)-(2-phenyl-benzo[4,5]furo[3,2-d]pyrimidin-4-yl)-amine
| Molecular Formula | C22H20ClN5O |
| Molecular Weight | 405.13565 g/mol |
| XLogP | 5.1635 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.13565 Da |
| Heavy Atoms | 29 |
| Complexity | 499.0 |
| SMILES | C1=CC=C(C=C1)C2=NC3=C(C(=N2)NCCCN4C=CN=C4)OC5=CC=CC=C53.Cl |
| InChIKey | QYBNVXGVMFXIPK-UHFFFAOYSA-N |
The XLogP value of 5.1635 indicates that N-(3-(1H-imidazol-1-yl)propyl)-2-phenylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-(1H-imidazol-1-yl)propyl)-2-phenylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride. Following Lipinski's Rule of Five, N-(3-(1H-imidazol-1-yl)propyl)-2-phenylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(3-(1H-imidazol-1-yl)propyl)-2-phenylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride is 1049750-67-5.
The molecular formula of N-(3-(1H-imidazol-1-yl)propyl)-2-phenylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride is C22H20ClN5O.
The molecular weight of N-(3-(1H-imidazol-1-yl)propyl)-2-phenylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride is 405.13565 g/mol.
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