1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one

C98H129N17O5Si — CID 158861888

About 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one

1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one (PubChem CID 158861888) has the molecular formula C98H129N17O5Si and a molecular weight of 1653.31 g/mol. Its IUPAC name is 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one.

Molecular Properties

• Compound Name: 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one
• PubChem CID: 158861888
• Molecular Formula: C98H129N17O5Si
• Molecular Weight: 1653.31 g/mol
• Exact Mass: 1652.01
• IUPAC Name: 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one
• SMILES: CC(C)c1ccc2c(c1)CC(=O)N2C.CCOc1cc(C(C)C)ccc1-n1cnc(C)n1.CCc1cn(-c2ccc(C(C)C)c3c2CC3)cn1.CNC(=O)N1CCCc2nc(C(C)C)ccc21.COc1nc(C(C)C)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)c3c2[Si](C)(C)OC3)cn1.Cc1ncn(-c2ccc(C(C)C)c3c2CC3)n1
• InChI: InChI=1S/C16H22N2OSi.C16H20N2.C14H19N3O.C14H17N3.C13H17N3O.C13H19N3O.C12H15NO/c1-11(2)13-6-7-15(18-8-12(3)17-10-18)16-14(13)9-19-20(16,4)5;1-4-12-9-18(10-17-12)16-8-7-13(11(2)3)14-5-6-15(14)16;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;1-9(2)11-5-6-12(13(15-11)17-4)16-7-10(3)14-8-16;1-9(2)10-6-7-12-11(15-10)5-4-8-16(12)13(17)14-3;1-8(2)9-4-5-11-10(6-9)7-12(14)13(11)3/h6-8,10-11H,9H2,1-5H3;7-11H,4-6H2,1-3H3;6-10H,5H2,1-4H3;6-9H,4-5H2,1-3H3;5-9H,1-4H3;6-7,9H,4-5,8H2,1-3H3,(H,14,17);4-6,8H,7H2,1-3H3
• InChIKey: JATKHDJVUYVBBG-UHFFFAOYSA-N
• XLogP: 20.13
• TPSA: 221.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1653.31
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

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-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one?

The IUPAC name of 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one (CID 158861888) is 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one.

What is the SMILES notation for 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one?

The canonical SMILES for 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one is CC(C)c1ccc2c(c1)CC(=O)N2C.CCOc1cc(C(C)C)ccc1-n1cnc(C)n1.CCc1cn(-c2ccc(C(C)C)c3c2CC3)cn1.CNC(=O)N1CCCc2nc(C(C)C)ccc21.COc1nc(C(C)C)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)c3c2[Si](C)(C)OC3)cn1.Cc1ncn(-c2ccc(C(C)C)c3c2CC3)n1.

What is the InChIKey of 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one?

The InChIKey is JATKHDJVUYVBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OSi.C16H20N2.C14H19N3O.C14H17N3.C13H17N3O.C13H19N3O.C12H15NO/c1-11(2)13-6-7-15(18-8-12(3)17-10-18)16-14(13)9-19-20(16,4)5;1-4-12-9-18(10-17-12)16-8-7-13(11(2)3)14-5-6-15(14)16;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;1-9(2)11-5-6-12(13(15-11)17-4)16-7-10(3)14-8-16;1-9(2)10-6-7-12-11(15-10)5-4-8-16(12)13(17)14-3;1-8(2)9-4-5-11-10(6-9)7-12(14)13(11)3/h6-8,10-11H,9H2,1-5H3;7-11H,4-6H2,1-3H3;6-10H,5H2,1-4H3;6-9H,4-5H2,1-3H3;5-9H,1-4H3;6-7,9H,4-5,8H2,1-3H3,(H,14,17);4-6,8H,7H2,1-3H3.

What are the key properties of 1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one?

1-(1,1-dimethyl-4-propan-2-yl-3H-2,1-benzoxasilol-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one has a molecular weight of 1653.31 g/mol, XLogP of 20.13, 16 rotatable bonds, 1 hydrogen bond donors, and 19 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-ethoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;4-ethyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-3H-indol-2-one is sourced from PubChem (CID 158861888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).