1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole

C101H128N20O6Si2 — CID 158686196

About 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole

1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole (PubChem CID 158686196) has the molecular formula C101H128N20O6Si2 and a molecular weight of 1774.44 g/mol. Its IUPAC name is 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole.

Molecular Properties

• Compound Name: 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole
• PubChem CID: 158686196
• Molecular Formula: C101H128N20O6Si2
• Molecular Weight: 1774.44 g/mol
• Exact Mass: 1772.99
• IUPAC Name: 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole
• SMILES: CCOc1cc(C(C)C)ccc1-n1cnc(C)n1.CCc1cn(-c2ccc(C(C)C)c3cnoc23)cn1.COc1nc(C(C)C)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)c3c2O[Si](C)(C)C3)cn1.Cc1cn(-c2ccc(C(C)C)c3c2[Si](C)(C)OC3)cn1.Cc1ncn(-c2ccc(C(C)C)c3c2CC3)n1.Cc1ncn(-c2ccc(C(C)C)c3cnoc23)n1
• InChI: InChI=1S/2C16H22N2OSi.C15H17N3O.C14H19N3O.C14H17N3.C13H14N4O.C13H17N3O/c1-11(2)13-6-7-15(18-8-12(3)17-10-18)16-14(13)9-20(4,5)19-16;1-11(2)13-6-7-15(18-8-12(3)17-10-18)16-14(13)9-19-20(16,4)5;1-4-11-8-18(9-16-11)14-6-5-12(10(2)3)13-7-17-19-15(13)14;1-5-18-14-8-12(10(2)3)6-7-13(14)17-9-15-11(4)16-17;1-9(2)11-6-7-14(13-5-4-12(11)13)17-8-15-10(3)16-17;1-8(2)10-4-5-12(13-11(10)6-15-18-13)17-7-14-9(3)16-17;1-9(2)11-5-6-12(13(15-11)17-4)16-7-10(3)14-8-16/h2*6-8,10-11H,9H2,1-5H3;5-10H,4H2,1-3H3;6-10H,5H2,1-4H3;6-9H,4-5H2,1-3H3;4-8H,1-3H3;5-9H,1-4H3
• InChIKey: IFTPOEPNQBMNIN-UHFFFAOYSA-N
• XLogP: 22.37
• TPSA: 265.28 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1774.44
LogP ≤ 5	22.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole?

The IUPAC name of 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole (CID 158686196) is 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole.

What is the SMILES notation for 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole?

The canonical SMILES for 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole is CCOc1cc(C(C)C)ccc1-n1cnc(C)n1.CCc1cn(-c2ccc(C(C)C)c3cnoc23)cn1.COc1nc(C(C)C)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)c3c2O[Si](C)(C)C3)cn1.Cc1cn(-c2ccc(C(C)C)c3c2[Si](C)(C)OC3)cn1.Cc1ncn(-c2ccc(C(C)C)c3c2CC3)n1.Cc1ncn(-c2ccc(C(C)C)c3cnoc23)n1.

What is the InChIKey of 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole?

The InChIKey is IFTPOEPNQBMNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H22N2OSi.C15H17N3O.C14H19N3O.C14H17N3.C13H14N4O.C13H17N3O/c1-11(2)13-6-7-15(18-8-12(3)17-10-18)16-14(13)9-20(4,5)19-16;1-11(2)13-6-7-15(18-8-12(3)17-10-18)16-14(13)9-19-20(16,4)5;1-4-11-8-18(9-16-11)14-6-5-12(10(2)3)13-7-17-19-15(13)14;1-5-18-14-8-12(10(2)3)6-7-13(14)17-9-15-11(4)16-17;1-9(2)11-6-7-14(13-5-4-12(11)13)17-8-15-10(3)16-17;1-8(2)10-4-5-12(13-11(10)6-15-18-13)17-7-14-9(3)16-17;1-9(2)11-5-6-12(13(15-11)17-4)16-7-10(3)14-8-16/h2*6-8,10-11H,9H2,1-5H3;5-10H,4H2,1-3H3;6-10H,5H2,1-4H3;6-9H,4-5H2,1-3H3;4-8H,1-3H3;5-9H,1-4H3.

What are the key properties of 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole?

1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole has a molecular weight of 1774.44 g/mol, XLogP of 22.37, 18 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;3-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-triazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole is sourced from PubChem (CID 158686196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).