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-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one

C100H124F2N18O6SSi — CID 158100998

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-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one

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-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one (PubChem CID 158100998) has the molecular formula C100H124F2N18O6SSi and a molecular weight of 1772.36 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;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one.

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;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one
• PubChem CID: 158100998
• Molecular Formula: C100H124F2N18O6SSi
• Molecular Weight: 1772.36 g/mol
• Exact Mass: 1770.94
• 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;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one
• SMILES: CCC(=O)N1CCc2nc(C(C)C)ccc21.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.C13H18N2O/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;1-4-13(16)15-8-7-11-12(15)6-5-10(14-11)9(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;5-6,9H,4,7-8H2,1-3H3
• InChIKey: FPGFSKYUTWOIOU-UHFFFAOYSA-N
• XLogP: 23.15
• TPSA: 241.74 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1772.36
LogP ≤ 5	23.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one?

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;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one (CID 158100998) 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;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one.

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;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one?

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;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one is CCC(=O)N1CCc2nc(C(C)C)ccc21.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;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one?

The InChIKey is FPGFSKYUTWOIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2Si.C15H20N2O.C14H14F2N2O2.C14H16N4OS.C14H15N3O.C13H17N3.C13H18N2O/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;1-4-13(16)15-8-7-11-12(15)6-5-10(14-11)9(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;5-6,9H,4,7-8H2,1-3H3.

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-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one?

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-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one has a molecular weight of 1772.36 g/mol, XLogP of 23.15, 19 rotatable bonds, 0 hydrogen bond donors, and 24 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;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)propan-1-one is sourced from PubChem (CID 158100998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).