TL;DR: 1H-Benzimidazole, 6-nitro-1-(1-piperidinylmethyl)- (CAS 103248-18-6) is a chemical compound with molecular formula C13H16N4O2 and molecular weight 260.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-nitro-1-(piperidin-1-ylmethyl)benzimidazole
Also Known As: t-butyl-5-hydroxyhexanoate, 1H-Benzimidazole, 6-nitro-1-(1-piperidinylmethyl)-, 6-Nitro-1-(1-piperidinylmethyl)-1H-benzimidazole, 6-nitro-1-(piperidin-1-ylmethyl)benzimidazole, 6-nitro-1-(1-piperidylmethyl)benzoimidazole
| Molecular Formula | C13H16N4O2 |
| Molecular Weight | 260.12732 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.12732 Da |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
| SMILES | C1CCN(CC1)CN2C=NC3=C2C=C(C=C3)[N+](=O)[O-] |
| InChIKey | WFRNJCRDTRVMHU-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole, 6-nitro-1-(1-piperidinylmethyl)-. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole, 6-nitro-1-(1-piperidinylmethyl)-. Following Lipinski's Rule of Five, 1H-Benzimidazole, 6-nitro-1-(1-piperidinylmethyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Benzimidazole, 6-nitro-1-(1-piperidinylmethyl)- is 103248-18-6.
The molecular formula of 1H-Benzimidazole, 6-nitro-1-(1-piperidinylmethyl)- is C13H16N4O2.
The molecular weight of 1H-Benzimidazole, 6-nitro-1-(1-piperidinylmethyl)- is 260.12732 g/mol.
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