1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole

C87H106F2N16O5SSi — CID 159482305

About 1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole

1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole (PubChem CID 159482305) has the molecular formula C87H106F2N16O5SSi and a molecular weight of 1554.06 g/mol. Its IUPAC name is 1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole.

Molecular Properties

• Compound Name: 1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole
• PubChem CID: 159482305
• Molecular Formula: C87H106F2N16O5SSi
• Molecular Weight: 1554.06 g/mol
• Exact Mass: 1552.80
• IUPAC Name: 1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole
• SMILES: CCOc1cc(C(C)C)ccc1-n1cnc(C)c1.CCc1ncn(-c2ccc(C(C)C)cc2)n1.COCc1ncn(-c2ccc(C(C)C)c3ncsc23)n1.Cc1cn(-c2ccc(C(C)C)c3c2CC[Si]3(C)C)cn1.Cc1cn(-c2ccc(C(C)C)c3c2OC(F)(F)O3)cn1.Cc1cn(-c2ccc(C(C)C)c3ncoc23)cn1
• InChI: InChI=1S/C17H24N2Si.C15H20N2O.C14H14F2N2O2.C14H16N4OS.C14H15N3O.C13H17N3/c1-12(2)14-6-7-16(19-10-13(3)18-11-19)15-8-9-20(4,5)17(14)15;1-5-18-15-8-13(11(2)3)6-7-14(15)17-9-12(4)16-10-17;1-8(2)10-4-5-11(18-6-9(3)17-7-18)13-12(10)19-14(15,16)20-13;1-9(2)10-4-5-11(14-13(10)16-8-20-14)18-7-15-12(17-18)6-19-3;1-9(2)11-4-5-12(14-13(11)16-8-18-14)17-6-10(3)15-7-17;1-4-13-14-9-16(15-13)12-7-5-11(6-8-12)10(2)3/h6-7,10-12H,8-9H2,1-5H3;6-11H,5H2,1-4H3;4-8H,1-3H3;4-5,7-9H,6H2,1-3H3;4-9H,1-3H3;5-10H,4H2,1-3H3
• InChIKey: LXDNQTWPEXGYEP-UHFFFAOYSA-N
• XLogP: 20.65
• TPSA: 208.54 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1554.06
LogP ≤ 5	20.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole?

The IUPAC name of 1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole (CID 159482305) is 1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole.

What is the SMILES notation for 1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole?

The canonical SMILES for 1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole is CCOc1cc(C(C)C)ccc1-n1cnc(C)c1.CCc1ncn(-c2ccc(C(C)C)cc2)n1.COCc1ncn(-c2ccc(C(C)C)c3ncsc23)n1.Cc1cn(-c2ccc(C(C)C)c3c2CC[Si]3(C)C)cn1.Cc1cn(-c2ccc(C(C)C)c3c2OC(F)(F)O3)cn1.Cc1cn(-c2ccc(C(C)C)c3ncoc23)cn1.

What is the InChIKey of 1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole?

The InChIKey is LXDNQTWPEXGYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2Si.C15H20N2O.C14H14F2N2O2.C14H16N4OS.C14H15N3O.C13H17N3/c1-12(2)14-6-7-16(19-10-13(3)18-11-19)15-8-9-20(4,5)17(14)15;1-5-18-15-8-13(11(2)3)6-7-14(15)17-9-12(4)16-10-17;1-8(2)10-4-5-11(18-6-9(3)17-7-18)13-12(10)19-14(15,16)20-13;1-9(2)10-4-5-11(14-13(10)16-8-20-14)18-7-15-12(17-18)6-19-3;1-9(2)11-4-5-12(14-13(11)16-8-18-14)17-6-10(3)15-7-17;1-4-13-14-9-16(15-13)12-7-5-11(6-8-12)10(2)3/h6-7,10-12H,8-9H2,1-5H3;6-11H,5H2,1-4H3;4-8H,1-3H3;4-5,7-9H,6H2,1-3H3;4-9H,1-3H3;5-10H,4H2,1-3H3.

What are the key properties of 1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole?

1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole has a molecular weight of 1554.06 g/mol, XLogP of 20.65, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoro-7-propan-2-yl-1,3-benzodioxol-4-yl)-4-methylimidazole;1-(1,1-dimethyl-7-propan-2-yl-2,3-dihydro-1-benzosilol-4-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;7-[3-(methoxymethyl)-1,2,4-triazol-1-yl]-4-propan-2-yl-1,3-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 159482305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).