1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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

C90H131N17O3SSi — CID 160519043

About 1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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 160519043) has the molecular formula C90H131N17O3SSi and a molecular weight of 1559.31 g/mol. Its IUPAC name is 1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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: 160519043
• Molecular Formula: C90H131N17O3SSi
• Molecular Weight: 1559.31 g/mol
• Exact Mass: 1558.01
• IUPAC Name: 1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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: C.C.C.C.C.C.CC(C)c1ccc2c(c1)CCN2C(=O)N(C)C.CC(C)c1ccc2c(n1)CCN2C.CCc1cn(-c2ccc(C(C)C)c3c2[Si](C)(C)CC3)cn1.CCc1cn(-c2ccc(C(C)C)c3cnsc23)cn1.Cc1ncn(-c2ccc(C(C)C)c3cnoc23)n1.Cc1ncn(-c2ccc(C(C)C)c3ncoc23)n1
• InChI: InChI=1S/C18H26N2Si.C15H17N3S.C14H20N2O.2C13H14N4O.C11H16N2.6CH4/c1-6-14-11-20(12-19-14)17-8-7-15(13(2)3)16-9-10-21(4,5)18(16)17;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;;;;;;/h7-8,11-13H,6,9-10H2,1-5H3;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;6*1H4
• InChIKey: QUALRURDCLOGOK-UHFFFAOYSA-N
• XLogP: 22.75
• TPSA: 201.69 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1559.31
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	0
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-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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 160519043) is 1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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 C.C.C.C.C.C.CC(C)c1ccc2c(c1)CCN2C(=O)N(C)C.CC(C)c1ccc2c(n1)CCN2C.CCc1cn(-c2ccc(C(C)C)c3c2[Si](C)(C)CC3)cn1.CCc1cn(-c2ccc(C(C)C)c3cnsc23)cn1.Cc1ncn(-c2ccc(C(C)C)c3cnoc23)n1.Cc1ncn(-c2ccc(C(C)C)c3ncoc23)n1.

What is the InChIKey of 1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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 QUALRURDCLOGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2Si.C15H17N3S.C14H20N2O.2C13H14N4O.C11H16N2.6CH4/c1-6-14-11-20(12-19-14)17-8-7-15(13(2)3)16-9-10-21(4,5)18(16)17;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;;;;;;/h7-8,11-13H,6,9-10H2,1-5H3;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;6*1H4.

What are the key properties of 1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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 1559.31 g/mol, XLogP of 22.75, 12 rotatable bonds, 0 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-2,3-dihydro-1-benzosilol-7-yl)-4-ethylimidazole;N,N-dimethyl-5-propan-2-yl-2,3-dihydroindole-1-carboxamide;7-(4-ethylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;methane;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 160519043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).