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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole

C106H125F2N19O4S2Si — CID 161311669

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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole

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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole (PubChem CID 161311669) has the molecular formula C106H125F2N19O4S2Si and a molecular weight of 1859.51 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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole.

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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole
• PubChem CID: 161311669
• Molecular Formula: C106H125F2N19O4S2Si
• Molecular Weight: 1859.51 g/mol
• Exact Mass: 1857.93
• 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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole
• SMILES: CCc1cn(-c2ccc(C(C)C)c3c2CC3)cn1.CCc1cn(-c2ccc(C(C)C)c3c2ncn3C)cn1.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)c3ccsc23)cn1.Cc1cn(-c2ccc(C(C)C)c3ncoc23)cn1
• InChI: InChI=1S/C17H24N2Si.C16H20N4.C16H20N2.C15H16N2S.C14H14F2N2O2.C14H16N4OS.C14H15N3O/c1-12(2)14-6-7-16(19-10-13(3)18-11-19)15-8-9-20(4,5)17(14)15;1-5-12-8-20(10-17-12)14-7-6-13(11(2)3)16-15(14)18-9-19(16)4;1-4-12-9-18(10-17-12)16-8-7-13(11(2)3)14-5-6-15(14)16;1-10(2)12-4-5-14(15-13(12)6-7-18-15)17-8-11(3)16-9-17;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/h6-7,10-12H,8-9H2,1-5H3;6-11H,5H2,1-4H3;7-11H,4-6H2,1-3H3;4-10H,1-3H3;4-8H,1-3H3;4-5,7-9H,6H2,1-3H3;4-9H,1-3H3
• InChIKey: VIYWFUJMKZNSBU-UHFFFAOYSA-N
• XLogP: 25.61
• TPSA: 222.06 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1859.51
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole?

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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole (CID 161311669) 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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole.

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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole?

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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole is CCc1cn(-c2ccc(C(C)C)c3c2CC3)cn1.CCc1cn(-c2ccc(C(C)C)c3c2ncn3C)cn1.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)c3ccsc23)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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole?

The InChIKey is VIYWFUJMKZNSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2Si.C16H20N4.C16H20N2.C15H16N2S.C14H14F2N2O2.C14H16N4OS.C14H15N3O/c1-12(2)14-6-7-16(19-10-13(3)18-11-19)15-8-9-20(4,5)17(14)15;1-5-12-8-20(10-17-12)14-7-6-13(11(2)3)16-15(14)18-9-19(16)4;1-4-12-9-18(10-17-12)16-8-7-13(11(2)3)14-5-6-15(14)16;1-10(2)12-4-5-14(15-13(12)6-7-18-15)17-8-11(3)16-9-17;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/h6-7,10-12H,8-9H2,1-5H3;6-11H,5H2,1-4H3;7-11H,4-6H2,1-3H3;4-10H,1-3H3;4-8H,1-3H3;4-5,7-9H,6H2,1-3H3;4-9H,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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole?

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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole has a molecular weight of 1859.51 g/mol, XLogP of 25.61, 18 rotatable bonds, 0 hydrogen bond donors, and 25 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;4-(4-ethylimidazol-1-yl)-1-methyl-7-propan-2-ylbenzimidazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;4-methyl-1-(4-propan-2-yl-1-benzothiophen-7-yl)imidazole is sourced from PubChem (CID 161311669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).