2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione

C144H161BrN18O21Si2 — CID 163417867

About 2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione

2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione (PubChem CID 163417867) has the molecular formula C144H161BrN18O21Si2 and a molecular weight of 2616.05 g/mol. Its IUPAC name is 2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione.

Molecular Properties

• Compound Name: 2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione
• PubChem CID: 163417867
• Molecular Formula: C144H161BrN18O21Si2
• Molecular Weight: 2616.05 g/mol
• Exact Mass: 2613.08
• IUPAC Name: 2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione
• SMILES: CC(C)(C)OC(=O)C1COc2ccc(O)cc2C1.Cc1cn(COCC[Si](C)(C)C)c(-c2cc(Br)ccn2)n1.Cc1cn(COCC[Si](C)(C)C)c(-c2cc(Oc3ccc4c(c3)CC(C(=O)OC(C)(C)C)CO4)ccn2)n1.Cc1cnc(-c2cc(Oc3ccc4c(c3)CC(C(=O)CCC(=O)c3ccccc3)CO4)ccn2)[nH]1.Cc1cnc(-c2cc(Oc3ccc4c(c3)CC(C(=O)OC(C)(C)C)CO4)ccn2)[nH]1.Cc1cnc(-c2cc(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5)[nH]3)CO4)ccn2)[nH]1.NCC(=O)c1ccccc1
• InChI: InChI=1S/C29H39N3O5Si.C28H25N3O4.C27H23N5O2.C23H25N3O4.C15H22BrN3OSi.C14H18O4.C8H9NO/c1-20-17-32(19-34-12-13-38(5,6)7)27(31-20)25-16-24(10-11-30-25)36-23-8-9-26-21(15-23)14-22(18-35-26)28(33)37-29(2,3)4;1-18-16-30-28(31-18)24-15-23(11-12-29-24)35-22-7-10-27-20(14-22)13-21(17-34-27)26(33)9-8-25(32)19-5-3-2-4-6-19;1-17-14-29-27(31-17)23-13-22(9-10-28-23)34-21-7-8-25-19(12-21)11-20(16-33-25)26-30-15-24(32-26)18-5-3-2-4-6-18;1-14-12-25-21(26-14)19-11-18(7-8-24-19)29-17-5-6-20-15(10-17)9-16(13-28-20)22(27)30-23(2,3)4;1-12-10-19(11-20-7-8-21(2,3)4)15(18-12)14-9-13(16)5-6-17-14;1-14(2,3)18-13(16)10-6-9-7-11(15)4-5-12(9)17-8-10;9-6-8(10)7-4-2-1-3-5-7/h8-11,15-17,22H,12-14,18-19H2,1-7H3;2-7,10-12,14-16,21H,8-9,13,17H2,1H3,(H,30,31);2-10,12-15,20H,11,16H2,1H3,(H,29,31)(H,30,32);5-8,10-12,16H,9,13H2,1-4H3,(H,25,26);5-6,9-10H,7-8,11H2,1-4H3;4-5,7,10,15H,6,8H2,1-3H3;1-5H,6,9H2
• InChIKey: AFYULIUXZKXWJY-UHFFFAOYSA-N
• XLogP: 29.19
• TPSA: 492.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2616.05
LogP ≤ 5	29.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione?

The IUPAC name of 2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione (CID 163417867) is 2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione.

What is the SMILES notation for 2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione?

The canonical SMILES for 2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione is CC(C)(C)OC(=O)C1COc2ccc(O)cc2C1.Cc1cn(COCC[Si](C)(C)C)c(-c2cc(Br)ccn2)n1.Cc1cn(COCC[Si](C)(C)C)c(-c2cc(Oc3ccc4c(c3)CC(C(=O)OC(C)(C)C)CO4)ccn2)n1.Cc1cnc(-c2cc(Oc3ccc4c(c3)CC(C(=O)CCC(=O)c3ccccc3)CO4)ccn2)[nH]1.Cc1cnc(-c2cc(Oc3ccc4c(c3)CC(C(=O)OC(C)(C)C)CO4)ccn2)[nH]1.Cc1cnc(-c2cc(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5)[nH]3)CO4)ccn2)[nH]1.NCC(=O)c1ccccc1.

What is the InChIKey of 2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione?

The InChIKey is AFYULIUXZKXWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O5Si.C28H25N3O4.C27H23N5O2.C23H25N3O4.C15H22BrN3OSi.C14H18O4.C8H9NO/c1-20-17-32(19-34-12-13-38(5,6)7)27(31-20)25-16-24(10-11-30-25)36-23-8-9-26-21(15-23)14-22(18-35-26)28(33)37-29(2,3)4;1-18-16-30-28(31-18)24-15-23(11-12-29-24)35-22-7-10-27-20(14-22)13-21(17-34-27)26(33)9-8-25(32)19-5-3-2-4-6-19;1-17-14-29-27(31-17)23-13-22(9-10-28-23)34-21-7-8-25-19(12-21)11-20(16-33-25)26-30-15-24(32-26)18-5-3-2-4-6-18;1-14-12-25-21(26-14)19-11-18(7-8-24-19)29-17-5-6-20-15(10-17)9-16(13-28-20)22(27)30-23(2,3)4;1-12-10-19(11-20-7-8-21(2,3)4)15(18-12)14-9-13(16)5-6-17-14;1-14(2,3)18-13(16)10-6-9-7-11(15)4-5-12(9)17-8-10;9-6-8(10)7-4-2-1-3-5-7/h8-11,15-17,22H,12-14,18-19H2,1-7H3;2-7,10-12,14-16,21H,8-9,13,17H2,1H3,(H,30,31);2-10,12-15,20H,11,16H2,1H3,(H,29,31)(H,30,32);5-8,10-12,16H,9,13H2,1-4H3,(H,25,26);5-6,9-10H,7-8,11H2,1-4H3;4-5,7,10,15H,6,8H2,1-3H3;1-5H,6,9H2.

What are the key properties of 2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione?

2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione has a molecular weight of 2616.05 g/mol, XLogP of 29.19, 35 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-phenylethanone;2-[[2-(4-bromo-2-pyridinyl)-4-methylimidazol-1-yl]methoxy]ethyl-trimethylsilane;tert-butyl 6-hydroxy-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;tert-butyl 6-[[2-[4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-3-carboxylate;2-(5-methyl-1H-imidazol-2-yl)-4-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]pyridine;1-[6-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione is sourced from PubChem (CID 163417867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).