1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine

C95H126N20O5Si — CID 157466152

About 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine

1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine (PubChem CID 157466152) has the molecular formula C95H126N20O5Si and a molecular weight of 1656.27 g/mol. Its IUPAC name is 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

• Compound Name: 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine
• PubChem CID: 157466152
• Molecular Formula: C95H126N20O5Si
• Molecular Weight: 1656.27 g/mol
• Exact Mass: 1655.00
• IUPAC Name: 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine
• SMILES: CC(C)c1ccc2c(n1)CCN2C.CCOc1nc(C(C)C)ccc1-n1cnc(C)n1.CCc1cn(-c2ccc(C(C)C)c3cnoc23)cn1.CNC(=O)N1CCCc2nc(C(C)C)ccc21.COc1nc(C(C)C)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)c3c2O[Si](C)(C)C3)cn1.Cc1ncn(-c2ccc(C(C)C)c3c2CC3)n1
• InChI: InChI=1S/C16H22N2OSi.C15H17N3O.C14H17N3.C13H18N4O.C13H17N3O.C13H19N3O.C11H16N2/c1-11(2)13-6-7-15(18-8-12(3)17-10-18)16-14(13)9-20(4,5)19-16;1-4-11-8-18(9-16-11)14-6-5-12(10(2)3)13-7-17-19-15(13)14;1-9(2)11-6-7-14(13-5-4-12(11)13)17-8-15-10(3)16-17;1-5-18-13-12(17-8-14-10(4)16-17)7-6-11(15-13)9(2)3;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(12-9)6-7-13(11)3/h6-8,10-11H,9H2,1-5H3;5-10H,4H2,1-3H3;6-9H,4-5H2,1-3H3;6-9H,5H2,1-4H3;5-9H,1-4H3;6-7,9H,4-5,8H2,1-3H3,(H,14,17);4-5,8H,6-7H2,1-3H3
• InChIKey: BUMRUFYOSCTUSF-UHFFFAOYSA-N
• XLogP: 20.18
• TPSA: 255.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1656.27
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine?

The IUPAC name of 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine (CID 157466152) is 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine.

What is the SMILES notation for 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine?

The canonical SMILES for 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine is CC(C)c1ccc2c(n1)CCN2C.CCOc1nc(C(C)C)ccc1-n1cnc(C)n1.CCc1cn(-c2ccc(C(C)C)c3cnoc23)cn1.CNC(=O)N1CCCc2nc(C(C)C)ccc21.COc1nc(C(C)C)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(C(C)C)c3c2O[Si](C)(C)C3)cn1.Cc1ncn(-c2ccc(C(C)C)c3c2CC3)n1.

What is the InChIKey of 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine?

The InChIKey is BUMRUFYOSCTUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OSi.C15H17N3O.C14H17N3.C13H18N4O.C13H17N3O.C13H19N3O.C11H16N2/c1-11(2)13-6-7-15(18-8-12(3)17-10-18)16-14(13)9-20(4,5)19-16;1-4-11-8-18(9-16-11)14-6-5-12(10(2)3)13-7-17-19-15(13)14;1-9(2)11-6-7-14(13-5-4-12(11)13)17-8-15-10(3)16-17;1-5-18-13-12(17-8-14-10(4)16-17)7-6-11(15-13)9(2)3;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(12-9)6-7-13(11)3/h6-8,10-11H,9H2,1-5H3;5-10H,4H2,1-3H3;6-9H,4-5H2,1-3H3;6-9H,5H2,1-4H3;5-9H,1-4H3;6-7,9H,4-5,8H2,1-3H3,(H,14,17);4-5,8H,6-7H2,1-3H3.

What are the key properties of 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine?

1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 1656.27 g/mol, XLogP of 20.18, 16 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;2-ethoxy-3-(3-methyl-1,2,4-triazol-1-yl)-6-propan-2-ylpyridine;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;N-methyl-6-propan-2-yl-3,4-dihydro-2H-1,5-naphthyridine-1-carboxamide;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 157466152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).