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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole

C103H131N19O6Si2 — CID 161145061

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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole

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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole (PubChem CID 161145061) has the molecular formula C103H131N19O6Si2 and a molecular weight of 1787.48 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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole.

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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole
• PubChem CID: 161145061
• Molecular Formula: C103H131N19O6Si2
• Molecular Weight: 1787.48 g/mol
• Exact Mass: 1786.01
• 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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole
• SMILES: CCOc1nc(C(C)C)ccc1-n1cnc(C)c1.CCc1cn(-c2ccc(C(C)C)c3cnoc23)cn1.CCc1ncn(-c2ccc(C(C)C)c3cnoc23)n1.COc1nc(C(C)C)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)c3c2CC3)cn1.Cc1cn(-c2ccc(C(C)C)c3c2O[Si](C)(C)C3)cn1.Cc1cn(-c2ccc(C(C)C)c3c2[Si](C)(C)OC3)cn1
• InChI: InChI=1S/2C16H22N2OSi.C15H17N3O.C15H18N2.C14H16N4O.C14H19N3O.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;1-10(2)12-6-7-15(14-5-4-13(12)14)17-8-11(3)16-9-17;1-4-13-15-8-18(17-13)12-6-5-10(9(2)3)11-7-16-19-14(11)12;1-5-18-14-13(17-8-11(4)15-9-17)7-6-12(16-14)10(2)3;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,4-5H2,1-3H3;5-9H,4H2,1-3H3;6-10H,5H2,1-4H3;5-9H,1-4H3
• InChIKey: UNXZMOBEBRNXOU-UHFFFAOYSA-N
• XLogP: 23.23
• TPSA: 252.39 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1787.48
LogP ≤ 5	23.23
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-(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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole?

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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole (CID 161145061) 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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole.

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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole?

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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole is CCOc1nc(C(C)C)ccc1-n1cnc(C)c1.CCc1cn(-c2ccc(C(C)C)c3cnoc23)cn1.CCc1ncn(-c2ccc(C(C)C)c3cnoc23)n1.COc1nc(C(C)C)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)c3c2CC3)cn1.Cc1cn(-c2ccc(C(C)C)c3c2O[Si](C)(C)C3)cn1.Cc1cn(-c2ccc(C(C)C)c3c2[Si](C)(C)OC3)cn1.

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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole?

The InChIKey is UNXZMOBEBRNXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H22N2OSi.C15H17N3O.C15H18N2.C14H16N4O.C14H19N3O.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;1-10(2)12-6-7-15(14-5-4-13(12)14)17-8-11(3)16-9-17;1-4-13-15-8-18(17-13)12-6-5-10(9(2)3)11-7-16-19-14(11)12;1-5-18-14-13(17-8-11(4)15-9-17)7-6-12(16-14)10(2)3;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,4-5H2,1-3H3;5-9H,4H2,1-3H3;6-10H,5H2,1-4H3;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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole?

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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole has a molecular weight of 1787.48 g/mol, XLogP of 23.23, 19 rotatable bonds, 0 hydrogen bond donors, and 25 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;2-ethoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-ethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;2-methoxy-3-(4-methylimidazol-1-yl)-6-propan-2-ylpyridine;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole is sourced from PubChem (CID 161145061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).