1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane

C139H163BrCl2F5IN24O23S7Si3 — CID 158740473

About 1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane

1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane (PubChem CID 158740473) has the molecular formula C139H163BrCl2F5IN24O23S7Si3 and a molecular weight of 3219.41 g/mol. Its IUPAC name is 1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane.

Molecular Properties

• Compound Name: 1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane
• PubChem CID: 158740473
• Molecular Formula: C139H163BrCl2F5IN24O23S7Si3
• Molecular Weight: 3219.41 g/mol
• Exact Mass: 3214.72
• IUPAC Name: 1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane
• SMILES: C.C.C.C.C.C.C1CCOC1.CCO.COCCBr.COCCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.COCCn1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1.COc1ccccc1CC(=O)N=C=S.C[Si](C)(C)CCOCn1cnc(-c2cc3nccc(Cl)c3s2)c1.C[Si](C)(C)CCOCn1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1.C[Si](C)(C)CCOCn1cnc(I)c1.Clc1ccnc2ccsc12.O=[N+]([O-])c1ccc(O)c(F)c1.O=[N+]([O-])c1ccc(Oc2ccnc3cc(-c4cnc[nH]4)sc23)c(F)c1
• InChI: InChI=1S/C22H23FN4O4SSi.C19H15FN4O4S.C19H17FN4O2S.C16H20ClN3OSSi.C16H9FN4O3S.C10H9NO2S.C9H17IN2OSi.C7H4ClNS.C6H4FNO3.C4H8O.C3H7BrO.C2H6O.6CH4/c1-33(2,3)9-8-30-14-26-12-18(25-13-26)21-11-17-22(32-21)20(6-7-24-17)31-19-5-4-15(27(28)29)10-16(19)23;1-27-7-6-23-10-15(22-11-23)18-9-14-19(29-18)17(4-5-21-14)28-16-3-2-12(24(25)26)8-13(16)20;1-25-7-6-24-10-15(23-11-24)18-9-14-19(27-18)17(4-5-22-14)26-16-3-2-12(21)8-13(16)20;1-23(2,3)7-6-21-11-20-9-14(19-10-20)15-8-13-16(22-15)12(17)4-5-18-13;17-10-5-9(21(22)23)1-2-13(10)24-14-3-4-19-11-6-15(25-16(11)14)12-7-18-8-20-12;1-13-9-5-3-2-4-8(9)6-10(12)11-7-14;1-14(2,3)5-4-13-8-12-6-9(10)11-7-12;8-5-1-3-9-6-2-4-10-7(5)6;7-5-3-4(8(10)11)1-2-6(5)9;1-2-4-5-3-1;1-5-3-2-4;1-2-3;;;;;;/h4-7,10-13H,8-9,14H2,1-3H3;2-5,8-11H,6-7H2,1H3;2-5,8-11H,6-7,21H2,1H3;4-5,8-10H,6-7,11H2,1-3H3;1-8H,(H,18,20);2-5H,6H2,1H3;6-7H,4-5,8H2,1-3H3;1-4H;1-3,9H;1-4H2;2-3H2,1H3;3H,2H2,1H3;6*1H4
• InChIKey: IMFRGBQUABCTII-UHFFFAOYSA-N
• XLogP: 39.62
• TPSA: 574.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 48
• Rotatable Bonds: 43
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3219.41
LogP ≤ 5	39.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane?

The IUPAC name of 1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane (CID 158740473) is 1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane.

What is the SMILES notation for 1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane?

The canonical SMILES for 1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane is C.C.C.C.C.C.C1CCOC1.CCO.COCCBr.COCCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.COCCn1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1.COc1ccccc1CC(=O)N=C=S.C[Si](C)(C)CCOCn1cnc(-c2cc3nccc(Cl)c3s2)c1.C[Si](C)(C)CCOCn1cnc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)c1.C[Si](C)(C)CCOCn1cnc(I)c1.Clc1ccnc2ccsc12.O=[N+]([O-])c1ccc(O)c(F)c1.O=[N+]([O-])c1ccc(Oc2ccnc3cc(-c4cnc[nH]4)sc23)c(F)c1.

What is the InChIKey of 1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane?

The InChIKey is IMFRGBQUABCTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4SSi.C19H15FN4O4S.C19H17FN4O2S.C16H20ClN3OSSi.C16H9FN4O3S.C10H9NO2S.C9H17IN2OSi.C7H4ClNS.C6H4FNO3.C4H8O.C3H7BrO.C2H6O.6CH4/c1-33(2,3)9-8-30-14-26-12-18(25-13-26)21-11-17-22(32-21)20(6-7-24-17)31-19-5-4-15(27(28)29)10-16(19)23;1-27-7-6-23-10-15(22-11-23)18-9-14-19(29-18)17(4-5-21-14)28-16-3-2-12(24(25)26)8-13(16)20;1-25-7-6-24-10-15(23-11-24)18-9-14-19(27-18)17(4-5-22-14)26-16-3-2-12(21)8-13(16)20;1-23(2,3)7-6-21-11-20-9-14(19-10-20)15-8-13-16(22-15)12(17)4-5-18-13;17-10-5-9(21(22)23)1-2-13(10)24-14-3-4-19-11-6-15(25-16(11)14)12-7-18-8-20-12;1-13-9-5-3-2-4-8(9)6-10(12)11-7-14;1-14(2,3)5-4-13-8-12-6-9(10)11-7-12;8-5-1-3-9-6-2-4-10-7(5)6;7-5-3-4(8(10)11)1-2-6(5)9;1-2-4-5-3-1;1-5-3-2-4;1-2-3;;;;;;/h4-7,10-13H,8-9,14H2,1-3H3;2-5,8-11H,6-7H2,1H3;2-5,8-11H,6-7,21H2,1H3;4-5,8-10H,6-7,11H2,1-3H3;1-8H,(H,18,20);2-5H,6H2,1H3;6-7H,4-5,8H2,1-3H3;1-4H;1-3,9H;1-4H2;2-3H2,1H3;3H,2H2,1H3;6*1H4.

What are the key properties of 1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane?

1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane has a molecular weight of 3219.41 g/mol, XLogP of 39.62, 43 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-methoxyethane;7-chlorothieno[3,2-b]pyridine;2-[[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;ethanol;3-fluoro-4-[2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;2-fluoro-4-nitrophenol;7-(2-fluoro-4-nitrophenoxy)-2-(1H-imidazol-5-yl)thieno[3,2-b]pyridine;7-(2-fluoro-4-nitrophenoxy)-2-[1-(2-methoxyethyl)imidazol-4-yl]thieno[3,2-b]pyridine;2-[[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[(4-iodoimidazol-1-yl)methoxy]ethyl-trimethylsilane;methane;2-(2-methoxyphenyl)acetyl isothiocyanate;oxolane is sourced from PubChem (CID 158740473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).