2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole

C87H90Br2F2N10OS — CID 160521663

About 2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole

2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 160521663) has the molecular formula C87H90Br2F2N10OS and a molecular weight of 1521.62 g/mol. Its IUPAC name is 2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

• Compound Name: 2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole
• PubChem CID: 160521663
• Molecular Formula: C87H90Br2F2N10OS
• Molecular Weight: 1521.62 g/mol
• Exact Mass: 1518.54
• IUPAC Name: 2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole
• SMILES: COc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCC1CCCN1CCN(C)CC1.Fc1cccc(C2=NCCN2)c1CCc1cc(Br)cc2ccsc12.c1ccc(C2=NCCN2)c(CCc2ccc3ccccc3c2)c1.c1ccc(C2=NCCN2)c(CCc2cccc3cccnc23)c1
• InChI: InChI=1S/C27H35BrFN3O.C21H20N2.C20H19N3.C19H16BrFN2S/c1-31-15-17-32(18-16-31)14-4-5-20-12-13-30-27(20)24-6-3-7-25(29)23(24)10-8-21-19-22(28)9-11-26(21)33-2;1-2-7-19-15-16(9-11-17(19)5-1)10-12-18-6-3-4-8-20(18)21-22-13-14-23-21;1-2-9-18(20-22-13-14-23-20)15(5-1)10-11-17-7-3-6-16-8-4-12-21-19(16)17;20-14-10-12(18-13(11-14)6-9-24-18)4-5-15-16(2-1-3-17(15)21)19-22-7-8-23-19/h3,6-7,9,11,19-20H,4-5,8,10,12-18H2,1-2H3;1-9,11,15H,10,12-14H2,(H,22,23);1-9,12H,10-11,13-14H2,(H,22,23);1-3,6,9-11H,4-5,7-8H2,(H,22,23)
• InChIKey: QUIWXKSKYAOSAU-UHFFFAOYSA-N
• XLogP: 17.50
• TPSA: 114.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1521.62
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole?

The IUPAC name of 2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole (CID 160521663) is 2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole.

What is the SMILES notation for 2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole?

The canonical SMILES for 2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole is COc1ccc(Br)cc1CCc1c(F)cccc1C1=NCCC1CCCN1CCN(C)CC1.Fc1cccc(C2=NCCN2)c1CCc1cc(Br)cc2ccsc12.c1ccc(C2=NCCN2)c(CCc2ccc3ccccc3c2)c1.c1ccc(C2=NCCN2)c(CCc2cccc3cccnc23)c1.

What is the InChIKey of 2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole?

The InChIKey is QUIWXKSKYAOSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35BrFN3O.C21H20N2.C20H19N3.C19H16BrFN2S/c1-31-15-17-32(18-16-31)14-4-5-20-12-13-30-27(20)24-6-3-7-25(29)23(24)10-8-21-19-22(28)9-11-26(21)33-2;1-2-7-19-15-16(9-11-17(19)5-1)10-12-18-6-3-4-8-20(18)21-22-13-14-23-21;1-2-9-18(20-22-13-14-23-20)15(5-1)10-11-17-7-3-6-16-8-4-12-21-19(16)17;20-14-10-12(18-13(11-14)6-9-24-18)4-5-15-16(2-1-3-17(15)21)19-22-7-8-23-19/h3,6-7,9,11,19-20H,4-5,8,10,12-18H2,1-2H3;1-9,11,15H,10,12-14H2,(H,22,23);1-9,12H,10-11,13-14H2,(H,22,23);1-3,6,9-11H,4-5,7-8H2,(H,22,23).

What are the key properties of 2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole?

2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 1521.62 g/mol, XLogP of 17.50, 21 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(5-bromo-1-benzothiophen-7-yl)ethyl]-3-fluorophenyl]-4,5-dihydro-1H-imidazole;1-[3-[5-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3,4-dihydro-2H-pyrrol-4-yl]propyl]-4-methylpiperazine;8-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]quinoline;2-[2-(2-naphthalen-2-ylethyl)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 160521663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).