1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole

C74H84F6N8O2 — CID 157052475

About 1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole

1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole (PubChem CID 157052475) has the molecular formula C74H84F6N8O2 and a molecular weight of 1231.53 g/mol. Its IUPAC name is 1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole
• PubChem CID: 157052475
• Molecular Formula: C74H84F6N8O2
• Molecular Weight: 1231.53 g/mol
• Exact Mass: 1230.66
• IUPAC Name: 1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole
• SMILES: Cc1cc2[nH]c(C(C)(c3c(C)c(C)c(C)c4c3ccn4C)C(F)(F)F)nc2c(C)c1C.Cc1cc2[nH]c(C(O)(c3c(C)c(C)c(C)c4c3ccn4C)C(F)(F)F)nc2c(C)c1C.Cc1cc2c(c(C)c1C)N=C(C(C)(O)c1c(C)c(C)c(C)c3c1ccn3C)C2
• InChI: InChI=1S/C25H28F3N3.C25H30N2O.C24H26F3N3O/c1-12-11-19-21(16(5)13(12)2)30-23(29-19)24(7,25(26,27)28)20-15(4)14(3)17(6)22-18(20)9-10-31(22)8;1-13-11-19-12-21(26-23(19)17(5)14(13)2)25(7,28)22-16(4)15(3)18(6)24-20(22)9-10-27(24)8;1-11-10-18-20(15(5)12(11)2)29-22(28-18)23(31,24(25,26)27)19-14(4)13(3)16(6)21-17(19)8-9-30(21)7/h9-11H,1-8H3,(H,29,30);9-11,28H,12H2,1-8H3;8-10,31H,1-7H3,(H,28,29)
• InChIKey: AAJGPSBLRYTMIU-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 124.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1231.53
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole?

The IUPAC name of 1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole (CID 157052475) is 1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole.

What is the SMILES notation for 1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole?

The canonical SMILES for 1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole is Cc1cc2[nH]c(C(C)(c3c(C)c(C)c(C)c4c3ccn4C)C(F)(F)F)nc2c(C)c1C.Cc1cc2[nH]c(C(O)(c3c(C)c(C)c(C)c4c3ccn4C)C(F)(F)F)nc2c(C)c1C.Cc1cc2c(c(C)c1C)N=C(C(C)(O)c1c(C)c(C)c(C)c3c1ccn3C)C2.

What is the InChIKey of 1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole?

The InChIKey is AAJGPSBLRYTMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3.C25H30N2O.C24H26F3N3O/c1-12-11-19-21(16(5)13(12)2)30-23(29-19)24(7,25(26,27)28)20-15(4)14(3)17(6)22-18(20)9-10-31(22)8;1-13-11-19-12-21(26-23(19)17(5)14(13)2)25(7,28)22-16(4)15(3)18(6)24-20(22)9-10-27(24)8;1-11-10-18-20(15(5)12(11)2)29-22(28-18)23(31,24(25,26)27)19-14(4)13(3)16(6)21-17(19)8-9-30(21)7/h9-11H,1-8H3,(H,29,30);9-11,28H,12H2,1-8H3;8-10,31H,1-7H3,(H,28,29).

What are the key properties of 1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole?

1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole has a molecular weight of 1231.53 g/mol, XLogP of 18.04, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,5,6,7-tetramethylindol-4-yl)-1-(5,6,7-trimethyl-3H-indol-2-yl)ethanol;2,2,2-trifluoro-1-(1,5,6,7-tetramethylindol-4-yl)-1-(4,5,6-trimethyl-1H-benzimidazol-2-yl)ethanol;4,5,6-trimethyl-2-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 157052475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).