TL;DR: Guanidine, 1-(1H-benzimidazol-2-yl)-3-phenyl-, hydrochloride, hydrate (1:2:1) (CAS 124636-09-5) is a chemical compound with molecular formula C14H15Cl2N5 and molecular weight 323.07047 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1H-benzimidazol-2-yl)-1-phenylguanidine;dihydrochloride
Also Known As: 2-(N-Phenylguanidino)benzimidazole dihydrochloride hydrate, 1-(1H-Benzimidazol-2-yl)-3-phenylguanidine dihydrochloride hydrate, Guanidine, 1-(1H-benzimidazol-2-yl)-3-phenyl-, hydrochloride, hydrate (1:2:1), Guanidine, N-(1H-benzimidazol-2-yl)-N'-phenyl-, dihydrochloride, hydrate, N''-(1H-1,3-Benzimidazol-2-yl)-N-phenylguanidine--hydrogen chloride (1/2)
| Molecular Formula | C14H15Cl2N5 |
| Molecular Weight | 323.07047 g/mol |
| XLogP | 3.4648 |
| Topological Polar Surface Area (TPSA) | 79.1 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.07047 Da |
| Heavy Atoms | 21 |
| Complexity | 324.0 |
| SMILES | C1=CC=C(C=C1)N/C(=N/C2=NC3=CC=CC=C3N2)/N.Cl.Cl |
| InChIKey | UKVNDZCZTQHCAR-UHFFFAOYSA-N |
The XLogP value of 3.4648 indicates that Guanidine, 1-(1H-benzimidazol-2-yl)-3-phenyl-, hydrochloride, hydrate (1:2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, 1-(1H-benzimidazol-2-yl)-3-phenyl-, hydrochloride, hydrate (1:2:1). Following Lipinski's Rule of Five, Guanidine, 1-(1H-benzimidazol-2-yl)-3-phenyl-, hydrochloride, hydrate (1:2:1) has 5 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Guanidine, 1-(1H-benzimidazol-2-yl)-3-phenyl-, hydrochloride, hydrate (1:2:1) is 124636-09-5.
The molecular formula of Guanidine, 1-(1H-benzimidazol-2-yl)-3-phenyl-, hydrochloride, hydrate (1:2:1) is C14H15Cl2N5.
The molecular weight of Guanidine, 1-(1H-benzimidazol-2-yl)-3-phenyl-, hydrochloride, hydrate (1:2:1) is 323.07047 g/mol.
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