1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole

C82H103N17O5Si — CID 161092744

About 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole

1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole (PubChem CID 161092744) has the molecular formula C82H103N17O5Si and a molecular weight of 1434.93 g/mol. Its IUPAC name is 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole.

Molecular Properties

• Compound Name: 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole
• PubChem CID: 161092744
• Molecular Formula: C82H103N17O5Si
• Molecular Weight: 1434.93 g/mol
• Exact Mass: 1433.81
• IUPAC Name: 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole
• SMILES: CC(C)c1ccc2c(c1)CCN2C(=O)N(C)C.CC(C)c1ccc2c(n1)CCN2C.CCc1cn(-c2ccc(C(C)C)c3cnoc23)cn1.Cc1cn(-c2ccc(C(C)C)c3c2O[Si](C)(C)C3)cn1.Cc1ncn(-c2ccc(C(C)C)c3cnoc23)n1.Cc1ncn(-c2ccc(C(C)C)c3ncoc23)n1
• InChI: InChI=1S/C16H22N2OSi.C15H17N3O.C14H20N2O.2C13H14N4O.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;1-10(2)11-5-6-13-12(9-11)7-8-16(13)14(17)15(3)4;1-8(2)10-4-5-12(13-11(10)6-15-18-13)17-7-14-9(3)16-17;1-8(2)10-4-5-11(13-12(10)15-7-18-13)17-6-14-9(3)16-17;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;5-6,9-10H,7-8H2,1-4H3;2*4-8H,1-3H3;4-5,8H,6-7H2,1-3H3
• InChIKey: UHJXSBVBCWHCDL-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 224.06 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1434.93
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole?

The IUPAC name of 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole (CID 161092744) is 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole.

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

The canonical SMILES for 1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole is CC(C)c1ccc2c(c1)CCN2C(=O)N(C)C.CC(C)c1ccc2c(n1)CCN2C.CCc1cn(-c2ccc(C(C)C)c3cnoc23)cn1.Cc1cn(-c2ccc(C(C)C)c3c2O[Si](C)(C)C3)cn1.Cc1ncn(-c2ccc(C(C)C)c3cnoc23)n1.Cc1ncn(-c2ccc(C(C)C)c3ncoc23)n1.

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

The InChIKey is UHJXSBVBCWHCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OSi.C15H17N3O.C14H20N2O.2C13H14N4O.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;1-10(2)11-5-6-13-12(9-11)7-8-16(13)14(17)15(3)4;1-8(2)10-4-5-12(13-11(10)6-15-18-13)17-7-14-9(3)16-17;1-8(2)10-4-5-11(13-12(10)15-7-18-13)17-6-14-9(3)16-17;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;5-6,9-10H,7-8H2,1-4H3;2*4-8H,1-3H3;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;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole?

1-(2,2-dimethyl-4-propan-2-yl-3H-1,2-benzoxasilol-7-yl)-4-methylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole has a molecular weight of 1434.93 g/mol, XLogP of 18.41, 11 rotatable bonds, 0 hydrogen bond donors, and 20 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;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;1-methyl-5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;7-(3-methyl-1,2,4-triazol-1-yl)-4-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 161092744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).