2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate

C99H74Cl4F3N17O5S5 — CID 159266205

About 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate

2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate (PubChem CID 159266205) has the molecular formula C99H74Cl4F3N17O5S5 and a molecular weight of 1940.94 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate
• PubChem CID: 159266205
• Molecular Formula: C99H74Cl4F3N17O5S5
• Molecular Weight: 1940.94 g/mol
• Exact Mass: 1937.34
• IUPAC Name: 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate
• SMILES: CN(C)C(=O)c1ccc2cc(-c3nc(C4CC4)n(C)c3Sc3ccc(Cl)cn3)ccc2n1.COC(=O)c1ccc(-c2nc3c4ncccc4ccn3c2Sc2ccc(Cl)cc2)cc1.C[n+]1c(-c2ccccn2)[nH]c(-c2ccc(-c3ccnnc3)cc2)c1Sc1ccc(Cl)cn1.Cn1c(-c2ccccn2)nc(-c2ccc(-c3cccs3)cc2)c1Sc1ccc(Cl)cc1.O=C([O-])C(F)(F)F
• InChI: InChI=1S/C25H18ClN3S2.C24H17ClN6S.C24H22ClN5OS.C24H16ClN3O2S.C2HF3O2/c1-29-24(21-5-2-3-15-27-21)28-23(25(29)31-20-13-11-19(26)12-14-20)18-9-7-17(8-10-18)22-6-4-16-30-22;1-31-23(20-4-2-3-12-26-20)30-22(24(31)32-21-10-9-19(25)15-27-21)17-7-5-16(6-8-17)18-11-13-28-29-14-18;1-29(2)23(31)19-10-6-15-12-16(7-9-18(15)27-19)21-24(30(3)22(28-21)14-4-5-14)32-20-11-8-17(25)13-26-20;1-30-24(29)17-6-4-16(5-7-17)21-23(31-19-10-8-18(25)9-11-19)28-14-12-15-3-2-13-26-20(15)22(28)27-21;3-2(4,5)1(6)7/h2-16H,1H3;2-15H,1H3;6-14H,4-5H2,1-3H3;2-14H,1H3;(H,6,7)
• InChIKey: RJAOBJBHMQEWLO-UHFFFAOYSA-N
• XLogP: 23.76
• TPSA: 262.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1940.94
LogP ≤ 5	23.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate?

The IUPAC name of 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate (CID 159266205) is 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate.

What is the SMILES notation for 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate?

The canonical SMILES for 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate is CN(C)C(=O)c1ccc2cc(-c3nc(C4CC4)n(C)c3Sc3ccc(Cl)cn3)ccc2n1.COC(=O)c1ccc(-c2nc3c4ncccc4ccn3c2Sc2ccc(Cl)cc2)cc1.C[n+]1c(-c2ccccn2)[nH]c(-c2ccc(-c3ccnnc3)cc2)c1Sc1ccc(Cl)cn1.Cn1c(-c2ccccn2)nc(-c2ccc(-c3cccs3)cc2)c1Sc1ccc(Cl)cc1.O=C([O-])C(F)(F)F.

What is the InChIKey of 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate?

The InChIKey is RJAOBJBHMQEWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3S2.C24H17ClN6S.C24H22ClN5OS.C24H16ClN3O2S.C2HF3O2/c1-29-24(21-5-2-3-15-27-21)28-23(25(29)31-20-13-11-19(26)12-14-20)18-9-7-17(8-10-18)22-6-4-16-30-22;1-31-23(20-4-2-3-12-26-20)30-22(24(31)32-21-10-9-19(25)15-27-21)17-7-5-16(6-8-17)18-11-13-28-29-14-18;1-29(2)23(31)19-10-6-15-12-16(7-9-18(15)27-19)21-24(30(3)22(28-21)14-4-5-14)32-20-11-8-17(25)13-26-20;1-30-24(29)17-6-4-16(5-7-17)21-23(31-19-10-8-18(25)9-11-19)28-14-12-15-3-2-13-26-20(15)22(28)27-21;3-2(4,5)1(6)7/h2-16H,1H3;2-15H,1H3;6-14H,4-5H2,1-3H3;2-14H,1H3;(H,6,7).

What are the key properties of 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate?

2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate has a molecular weight of 1940.94 g/mol, XLogP of 23.76, 19 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(4-chlorophenyl)sulfanyl-1-methyl-4-(4-thiophen-2-ylphenyl)imidazol-2-yl]pyridine;6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-1-methylimidazol-4-yl]-N,N-dimethylquinoline-2-carboxamide;4-[4-[4-[(5-chloro-2-pyridinyl)sulfanyl]-3-methyl-2-pyridin-2-yl-1H-imidazol-3-ium-5-yl]phenyl]pyridazine;methyl 4-[3-(4-chlorophenyl)sulfanylimidazo[1,2-h][1,7]naphthyridin-2-yl]benzoate;2,2,2-trifluoroacetate is sourced from PubChem (CID 159266205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).