4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine

C72H79Cl6F3N14O3S — CID 159620910

About 4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine

4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine (PubChem CID 159620910) has the molecular formula C72H79Cl6F3N14O3S and a molecular weight of 1490.30 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine.

Molecular Properties

• Compound Name: 4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine
• PubChem CID: 159620910
• Molecular Formula: C72H79Cl6F3N14O3S
• Molecular Weight: 1490.30 g/mol
• Exact Mass: 1486.43
• IUPAC Name: 4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine
• SMILES: C.C.CC(=O)N1CCC(c2ncc(-c3cc(Cl)cc(Cl)c3)[nH]2)CC1.CS(=O)(=O)N1CCC(c2ncc(-c3cc(Cl)cc(Cl)c3)[nH]2)CC1.Clc1cc(Cl)cc(-c2cnc(C3CCN(c4ccccn4)CC3)[nH]2)c1.FC(F)(F)c1cccc(-c2cnc(C3CCN(c4ccccn4)CC3)[nH]2)c1
• InChI: InChI=1S/C20H19F3N4.C19H18Cl2N4.C16H17Cl2N3O.C15H17Cl2N3O2S.2CH4/c21-20(22,23)16-5-3-4-15(12-16)17-13-25-19(26-17)14-7-10-27(11-8-14)18-6-1-2-9-24-18;20-15-9-14(10-16(21)11-15)17-12-23-19(24-17)13-4-7-25(8-5-13)18-3-1-2-6-22-18;1-10(22)21-4-2-11(3-5-21)16-19-9-15(20-16)12-6-13(17)8-14(18)7-12;1-23(21,22)20-4-2-10(3-5-20)15-18-9-14(19-15)11-6-12(16)8-13(17)7-11;;/h1-6,9,12-14H,7-8,10-11H2,(H,25,26);1-3,6,9-13H,4-5,7-8H2,(H,23,24);6-9,11H,2-5H2,1H3,(H,19,20);6-10H,2-5H2,1H3,(H,18,19);2*1H4
• InChIKey: MNWJNTINPCUQBA-UHFFFAOYSA-N
• XLogP: 18.94
• TPSA: 204.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1490.30
LogP ≤ 5	18.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine?

The IUPAC name of 4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine (CID 159620910) is 4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine.

What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine?

The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine is C.C.CC(=O)N1CCC(c2ncc(-c3cc(Cl)cc(Cl)c3)[nH]2)CC1.CS(=O)(=O)N1CCC(c2ncc(-c3cc(Cl)cc(Cl)c3)[nH]2)CC1.Clc1cc(Cl)cc(-c2cnc(C3CCN(c4ccccn4)CC3)[nH]2)c1.FC(F)(F)c1cccc(-c2cnc(C3CCN(c4ccccn4)CC3)[nH]2)c1.

What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine?

The InChIKey is MNWJNTINPCUQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4.C19H18Cl2N4.C16H17Cl2N3O.C15H17Cl2N3O2S.2CH4/c21-20(22,23)16-5-3-4-15(12-16)17-13-25-19(26-17)14-7-10-27(11-8-14)18-6-1-2-9-24-18;20-15-9-14(10-16(21)11-15)17-12-23-19(24-17)13-4-7-25(8-5-13)18-3-1-2-6-22-18;1-10(22)21-4-2-11(3-5-21)16-19-9-15(20-16)12-6-13(17)8-14(18)7-12;1-23(21,22)20-4-2-10(3-5-20)15-18-9-14(19-15)11-6-12(16)8-13(17)7-11;;/h1-6,9,12-14H,7-8,10-11H2,(H,25,26);1-3,6,9-13H,4-5,7-8H2,(H,23,24);6-9,11H,2-5H2,1H3,(H,19,20);6-10H,2-5H2,1H3,(H,18,19);2*1H4.

What are the key properties of 4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine?

4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine has a molecular weight of 1490.30 g/mol, XLogP of 18.94, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]-1-methylsulfonylpiperidine;1-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone;2-[4-[5-(3,5-dichlorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridine;methane;2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 159620910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).