2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole)

C125H100ClF6N19 — CID 159006029

About 2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole)

2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole) (PubChem CID 159006029) has the molecular formula C125H100ClF6N19 and a molecular weight of 2017.75 g/mol. Its IUPAC name is 2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole).

Molecular Properties

• Compound Name: 2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole)
• PubChem CID: 159006029
• Molecular Formula: C125H100ClF6N19
• Molecular Weight: 2017.75 g/mol
• Exact Mass: 2015.80
• IUPAC Name: 2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole)
• SMILES: Cc1cc2c(cc1Cl)N=C(CCc1cnc3ccccc3n1)C2.Cc1ccc2c(c1)N=C(CCc1cnc3ccccc3n1)C2.Cc1ccc2c(c1)N=C(CCc1cnc3ccccc3n1)C2.Cn1c(CCc2cnc3c(C(F)(F)F)ccc(C(F)(F)F)c3n2)nc2c3ccccc3ccc21.c1ccc2c3c(ccc2c1)CC(CCc1cnc2ccccc2n1)=N3.c1ccc2c3c(ccc2c1)CC(CCc1cnc2ccccc2n1)=N3
• InChI: InChI=1S/C24H16F6N4.2C22H17N3.C19H16ClN3.2C19H17N3/c1-34-18-10-6-13-4-2-3-5-15(13)20(18)33-19(34)11-7-14-12-31-21-16(23(25,26)27)8-9-17(22(21)32-14)24(28,29)30;2*1-2-6-19-15(5-1)9-10-16-13-17(25-22(16)19)11-12-18-14-23-20-7-3-4-8-21(20)24-18;1-12-8-13-9-14(22-19(13)10-16(12)20)6-7-15-11-21-17-4-2-3-5-18(17)23-15;2*1-13-6-7-14-11-15(21-19(14)10-13)8-9-16-12-20-17-4-2-3-5-18(17)22-16/h2-6,8-10,12H,7,11H2,1H3;2*1-10,14H,11-13H2;2-5,8,10-11H,6-7,9H2,1H3;2*2-7,10,12H,8-9,11H2,1H3
• InChIKey: JRXWWARXYPECQW-UHFFFAOYSA-N
• XLogP: 29.83
• TPSA: 234.30 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2017.75
LogP ≤ 5	29.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole)?

The IUPAC name of 2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole) (CID 159006029) is 2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole).

What is the SMILES notation for 2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole)?

The canonical SMILES for 2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole) is Cc1cc2c(cc1Cl)N=C(CCc1cnc3ccccc3n1)C2.Cc1ccc2c(c1)N=C(CCc1cnc3ccccc3n1)C2.Cc1ccc2c(c1)N=C(CCc1cnc3ccccc3n1)C2.Cn1c(CCc2cnc3c(C(F)(F)F)ccc(C(F)(F)F)c3n2)nc2c3ccccc3ccc21.c1ccc2c3c(ccc2c1)CC(CCc1cnc2ccccc2n1)=N3.c1ccc2c3c(ccc2c1)CC(CCc1cnc2ccccc2n1)=N3.

What is the InChIKey of 2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole)?

The InChIKey is JRXWWARXYPECQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N4.2C22H17N3.C19H16ClN3.2C19H17N3/c1-34-18-10-6-13-4-2-3-5-15(13)20(18)33-19(34)11-7-14-12-31-21-16(23(25,26)27)8-9-17(22(21)32-14)24(28,29)30;2*1-2-6-19-15(5-1)9-10-16-13-17(25-22(16)19)11-12-18-14-23-20-7-3-4-8-21(20)24-18;1-12-8-13-9-14(22-19(13)10-16(12)20)6-7-15-11-21-17-4-2-3-5-18(17)23-15;2*1-13-6-7-14-11-15(21-19(14)10-13)8-9-16-12-20-17-4-2-3-5-18(17)22-16/h2-6,8-10,12H,7,11H2,1H3;2*1-10,14H,11-13H2;2-5,8,10-11H,6-7,9H2,1H3;2*2-7,10,12H,8-9,11H2,1H3.

What are the key properties of 2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole)?

2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole) has a molecular weight of 2017.75 g/mol, XLogP of 29.83, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5,8-bis(trifluoromethyl)quinoxalin-2-yl]ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;bis(2-[2-(6-methyl-3H-indol-2-yl)ethyl]quinoxaline);bis(2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole) is sourced from PubChem (CID 159006029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).