5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole

C87H104Br2F5N11 — CID 159504782

About 5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole

5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole (PubChem CID 159504782) has the molecular formula C87H104Br2F5N11 and a molecular weight of 1558.66 g/mol. Its IUPAC name is 5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole.

Molecular Properties

• Compound Name: 5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole
• PubChem CID: 159504782
• Molecular Formula: C87H104Br2F5N11
• Molecular Weight: 1558.66 g/mol
• Exact Mass: 1555.68
• IUPAC Name: 5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole
• SMILES: CC1(C)CCc2ccc(Br)c(F)c21.CC1(C)CCc2ccc(CCc3cccnc3)cc21.CC1(C)CNc2cc(F)c(Br)cc21.Cc1c(Cn2ccnc2C)ccc2c1C(C)(C)CN2.Cc1cc2c(cc1Cn1ccnc1C)C(C)(C)CN2.Cc1nccn1Cc1cc2c(cc1C(F)(F)F)NCC2(C)C
• InChI: InChI=1S/C18H21N.C16H18F3N3.2C16H21N3.C11H12BrF.C10H11BrFN/c1-18(2)10-9-16-8-7-14(12-17(16)18)5-6-15-4-3-11-19-13-15;1-10-20-4-5-22(10)8-11-6-13-14(21-9-15(13,2)3)7-12(11)16(17,18)19;1-11-7-15-14(16(3,4)10-18-15)8-13(11)9-19-6-5-17-12(19)2;1-11-13(9-19-8-7-17-12(19)2)5-6-14-15(11)16(3,4)10-18-14;1-11(2)6-5-7-3-4-8(12)10(13)9(7)11;1-10(2)5-13-9-4-8(12)7(11)3-6(9)10/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3;4-7,21H,8-9H2,1-3H3;2*5-8,18H,9-10H2,1-4H3;3-4H,5-6H2,1-2H3;3-4,13H,5H2,1-2H3
• InChIKey: LZVPZSCAFXNNIT-UHFFFAOYSA-N
• XLogP: 21.66
• TPSA: 114.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1558.66
LogP ≤ 5	21.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole?

The IUPAC name of 5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole (CID 159504782) is 5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole.

What is the SMILES notation for 5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole?

The canonical SMILES for 5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole is CC1(C)CCc2ccc(Br)c(F)c21.CC1(C)CCc2ccc(CCc3cccnc3)cc21.CC1(C)CNc2cc(F)c(Br)cc21.Cc1c(Cn2ccnc2C)ccc2c1C(C)(C)CN2.Cc1cc2c(cc1Cn1ccnc1C)C(C)(C)CN2.Cc1nccn1Cc1cc2c(cc1C(F)(F)F)NCC2(C)C.

What is the InChIKey of 5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole?

The InChIKey is LZVPZSCAFXNNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N.C16H18F3N3.2C16H21N3.C11H12BrF.C10H11BrFN/c1-18(2)10-9-16-8-7-14(12-17(16)18)5-6-15-4-3-11-19-13-15;1-10-20-4-5-22(10)8-11-6-13-14(21-9-15(13,2)3)7-12(11)16(17,18)19;1-11-7-15-14(16(3,4)10-18-15)8-13(11)9-19-6-5-17-12(19)2;1-11-13(9-19-8-7-17-12(19)2)5-6-14-15(11)16(3,4)10-18-14;1-11(2)6-5-7-3-4-8(12)10(13)9(7)11;1-10(2)5-13-9-4-8(12)7(11)3-6(9)10/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3;4-7,21H,8-9H2,1-3H3;2*5-8,18H,9-10H2,1-4H3;3-4H,5-6H2,1-2H3;3-4,13H,5H2,1-2H3.

What are the key properties of 5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole?

5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole has a molecular weight of 1558.66 g/mol, XLogP of 21.66, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-fluoro-3,3-dimethyl-1,2-dihydroindene;5-bromo-6-fluoro-3,3-dimethyl-1,2-dihydroindole;3-[2-(3,3-dimethyl-1,2-dihydroinden-5-yl)ethyl]pyridine;3,3-dimethyl-5-[(2-methylimidazol-1-yl)methyl]-6-(trifluoromethyl)-1,2-dihydroindole;3,3,4-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole;3,3,6-trimethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2-dihydroindole is sourced from PubChem (CID 159504782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).