3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one

C138H188BrFN16O17Si4 — CID 163631286

About 3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one

3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 163631286) has the molecular formula C138H188BrFN16O17Si4 and a molecular weight of 2554.36 g/mol. Its IUPAC name is 3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one
• PubChem CID: 163631286
• Molecular Formula: C138H188BrFN16O17Si4
• Molecular Weight: 2554.36 g/mol
• Exact Mass: 2551.26
• IUPAC Name: 3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one
• SMILES: C#CC(C)(C)C.CC(C)(C)C#Cc1cn(COCC[Si](C)(C)C)c(C2COc3ccc(O)cc3C2)n1.CC(C)(C)CCc1cn(COCC[Si](C)(C)C)c(C2COc3ccc(O)cc3C2)n1.CC(C)(C)CCc1cn(COCC[Si](C)(C)C)c(C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)n1.CC(C)(C)CCc1cnc(C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.C[Si](C)(C)CCOCn1cc(Br)nc1C1COc2ccc(O)cc2C1.O=C1CCc2c(F)ccnc2N1
• InChI: InChI=1S/C32H44N4O4Si.C26H30N4O3.C24H38N2O3Si.C24H34N2O3Si.C18H25BrN2O3Si.C8H7FN2O.C6H10/c1-32(2,3)13-11-24-19-36(21-38-15-16-41(4,5)6)31(34-24)23-17-22-18-25(7-9-27(22)39-20-23)40-28-12-14-33-30-26(28)8-10-29(37)35-30;1-26(2,3)10-8-18-14-28-24(29-18)17-12-16-13-19(4-6-21(16)32-15-17)33-22-9-11-27-25-20(22)5-7-23(31)30-25;2*1-24(2,3)10-9-20-15-26(17-28-11-12-30(4,5)6)23(25-20)19-13-18-14-21(27)7-8-22(18)29-16-19;1-25(2,3)7-6-23-12-21-10-17(19)20-18(21)14-8-13-9-15(22)4-5-16(13)24-11-14;9-6-3-4-10-8-5(6)1-2-7(12)11-8;1-5-6(2,3)4/h7,9,12,14,18-19,23H,8,10-11,13,15-17,20-21H2,1-6H3,(H,33,35,37);4,6,9,11,13-14,17H,5,7-8,10,12,15H2,1-3H3,(H,28,29)(H,27,30,31);7-8,14-15,19,27H,9-13,16-17H2,1-6H3;7-8,14-15,19,27H,11-13,16-17H2,1-6H3;4-5,9-10,14,22H,6-8,11-12H2,1-3H3;3-4H,1-2H2,(H,10,11,12);1H,2-4H3
• InChIKey: HWHDDCSIPNGGCD-UHFFFAOYSA-N
• XLogP: 29.91
• TPSA: 388.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2554.36
LogP ≤ 5	29.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The IUPAC name of 3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 163631286) is 3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one.

What is the SMILES notation for 3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The canonical SMILES for 3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one is C#CC(C)(C)C.CC(C)(C)C#Cc1cn(COCC[Si](C)(C)C)c(C2COc3ccc(O)cc3C2)n1.CC(C)(C)CCc1cn(COCC[Si](C)(C)C)c(C2COc3ccc(O)cc3C2)n1.CC(C)(C)CCc1cn(COCC[Si](C)(C)C)c(C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)n1.CC(C)(C)CCc1cnc(C2COc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)[nH]1.C[Si](C)(C)CCOCn1cc(Br)nc1C1COc2ccc(O)cc2C1.O=C1CCc2c(F)ccnc2N1.

What is the InChIKey of 3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one?

The InChIKey is HWHDDCSIPNGGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4O4Si.C26H30N4O3.C24H38N2O3Si.C24H34N2O3Si.C18H25BrN2O3Si.C8H7FN2O.C6H10/c1-32(2,3)13-11-24-19-36(21-38-15-16-41(4,5)6)31(34-24)23-17-22-18-25(7-9-27(22)39-20-23)40-28-12-14-33-30-26(28)8-10-29(37)35-30;1-26(2,3)10-8-18-14-28-24(29-18)17-12-16-13-19(4-6-21(16)32-15-17)33-22-9-11-27-25-20(22)5-7-23(31)30-25;2*1-24(2,3)10-9-20-15-26(17-28-11-12-30(4,5)6)23(25-20)19-13-18-14-21(27)7-8-22(18)29-16-19;1-25(2,3)7-6-23-12-21-10-17(19)20-18(21)14-8-13-9-15(22)4-5-16(13)24-11-14;9-6-3-4-10-8-5(6)1-2-7(12)11-8;1-5-6(2,3)4/h7,9,12,14,18-19,23H,8,10-11,13,15-17,20-21H2,1-6H3,(H,33,35,37);4,6,9,11,13-14,17H,5,7-8,10,12,15H2,1-3H3,(H,28,29)(H,27,30,31);7-8,14-15,19,27H,9-13,16-17H2,1-6H3;7-8,14-15,19,27H,11-13,16-17H2,1-6H3;4-5,9-10,14,22H,6-8,11-12H2,1-3H3;3-4H,1-2H2,(H,10,11,12);1H,2-4H3.

What are the key properties of 3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one?

3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 2554.36 g/mol, XLogP of 29.91, 35 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-bromo-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[5-(3,3-dimethylbutyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-[[3-[4-(3,3-dimethylbutyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;3,3-dimethylbut-1-yne;3-[4-(3,3-dimethylbut-1-ynyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3,4-dihydro-2H-chromen-6-ol;5-fluoro-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 163631286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).