2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine

C99H97F5N16O7S — CID 158901415

About 2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine

2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine (PubChem CID 158901415) has the molecular formula C99H97F5N16O7S and a molecular weight of 1750.03 g/mol. Its IUPAC name is 2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine
• PubChem CID: 158901415
• Molecular Formula: C99H97F5N16O7S
• Molecular Weight: 1750.03 g/mol
• Exact Mass: 1748.74
• IUPAC Name: 2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine
• SMILES: CCCCOc1ncccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.CCCCOc1ncccc1-c1ncc(-c2ccc(F)c(F)c2)[nH]1.CCCCOc1ncccc1-c1ncc(-c2ccc(S(C)(=O)=O)cc2)[nH]1.CCCCOc1ncccc1-c1ncc(-c2cccc(C#N)c2)[nH]1.CCCCOc1ncccc1-c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1
• InChI: InChI=1S/C24H23N3O.C19H18F3N3O.C19H18N4O.C19H21N3O3S.C18H17F2N3O/c1-2-3-17-28-24-20(15-10-16-25-24)23-26-21(18-11-6-4-7-12-18)22(27-23)19-13-8-5-9-14-19;1-2-3-10-26-18-15(8-5-9-23-18)17-24-12-16(25-17)13-6-4-7-14(11-13)19(20,21)22;1-2-3-10-24-19-16(8-5-9-21-19)18-22-13-17(23-18)15-7-4-6-14(11-15)12-20;1-3-4-12-25-19-16(6-5-11-20-19)18-21-13-17(22-18)14-7-9-15(10-8-14)26(2,23)24;1-2-3-9-24-18-13(5-4-8-21-18)17-22-11-16(23-17)12-6-7-14(19)15(20)10-12/h4-16H,2-3,17H2,1H3,(H,26,27);4-9,11-12H,2-3,10H2,1H3,(H,24,25);4-9,11,13H,2-3,10H2,1H3,(H,22,23);5-11,13H,3-4,12H2,1-2H3,(H,21,22);4-8,10-11H,2-3,9H2,1H3,(H,22,23)
• InChIKey: JFMLJKXGGHENAY-UHFFFAOYSA-N
• XLogP: 23.83
• TPSA: 311.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 32
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1750.03
LogP ≤ 5	23.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine?

The IUPAC name of 2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine (CID 158901415) is 2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine.

What is the SMILES notation for 2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine?

The canonical SMILES for 2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine is CCCCOc1ncccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.CCCCOc1ncccc1-c1ncc(-c2ccc(F)c(F)c2)[nH]1.CCCCOc1ncccc1-c1ncc(-c2ccc(S(C)(=O)=O)cc2)[nH]1.CCCCOc1ncccc1-c1ncc(-c2cccc(C#N)c2)[nH]1.CCCCOc1ncccc1-c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1.

What is the InChIKey of 2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine?

The InChIKey is JFMLJKXGGHENAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O.C19H18F3N3O.C19H18N4O.C19H21N3O3S.C18H17F2N3O/c1-2-3-17-28-24-20(15-10-16-25-24)23-26-21(18-11-6-4-7-12-18)22(27-23)19-13-8-5-9-14-19;1-2-3-10-26-18-15(8-5-9-23-18)17-24-12-16(25-17)13-6-4-7-14(11-13)19(20,21)22;1-2-3-10-24-19-16(8-5-9-21-19)18-22-13-17(23-18)15-7-4-6-14(11-15)12-20;1-3-4-12-25-19-16(6-5-11-20-19)18-21-13-17(22-18)14-7-9-15(10-8-14)26(2,23)24;1-2-3-9-24-18-13(5-4-8-21-18)17-22-11-16(23-17)12-6-7-14(19)15(20)10-12/h4-16H,2-3,17H2,1H3,(H,26,27);4-9,11-12H,2-3,10H2,1H3,(H,24,25);4-9,11,13H,2-3,10H2,1H3,(H,22,23);5-11,13H,3-4,12H2,1-2H3,(H,21,22);4-8,10-11H,2-3,9H2,1H3,(H,22,23).

What are the key properties of 2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine?

2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine has a molecular weight of 1750.03 g/mol, XLogP of 23.83, 32 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butoxy-3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pyridine;2-butoxy-3-(4,5-diphenyl-1H-imidazol-2-yl)pyridine;2-butoxy-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]pyridine;3-[2-(2-butoxy-3-pyridinyl)-1H-imidazol-5-yl]benzonitrile;2-butoxy-3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 158901415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).