TL;DR: 1-[1-[[1-(3,4-Dichlorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]carbonyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one (CAS 1017778-43-6) is a chemical compound with molecular formula C26H21Cl2N5O2S and molecular weight 537.0793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-[1-(3,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
Also Known As: 1-[1-[[1-(3,4-Dichlorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]carbonyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one, 3-[1-[2-(3,4-dichlorophenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
| Molecular Formula | C26H21Cl2N5O2S |
| Molecular Weight | 537.0793 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 537.0793 Da |
| Heavy Atoms | 36 |
| Complexity | 830.0 |
| SMILES | C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=CC(=NN4C5=CC(=C(C=C5)Cl)Cl)C6=CC=CS6 |
| InChIKey | VGPGKCPQLOWIDL-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 1-[1-[[1-(3,4-Dichlorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]carbonyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-[[1-(3,4-Dichlorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]carbonyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one. Following Lipinski's Rule of Five, 1-[1-[[1-(3,4-Dichlorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]carbonyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[1-[[1-(3,4-Dichlorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]carbonyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one is 1017778-43-6.
The molecular formula of 1-[1-[[1-(3,4-Dichlorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]carbonyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one is C26H21Cl2N5O2S.
The molecular weight of 1-[1-[[1-(3,4-Dichlorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]carbonyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one is 537.0793 g/mol.
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