2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole

C45H40F3N9 — CID 159754111

IUPAC2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
SMILESCc1ccc(C(F)(F)F)c2nc(CCc3nc4c5ccccc5ccc4n3C)cn12.Cc1ccc(C)n2cc(CCc3nc4c5cccnc5ccc4n3C)nc12
InChIInChI=1S/C23H19F3N4.C22H21N5/c1-14-7-10-18(23(24,25)26)22-27-16(13-30(14)22)9-12-20-28-21-17-6-4-3-5-15(17)8-11-19(21)29(20)2;1-14-6-7-15(2)27-13-16(24-22(14)27)8-11-20-25-21-17-5-4-12-23-18(17)9-10-19(21)26(20)3/h3-8,10-11,13H,9,12H2,1-2H3;4-7,9-10,12-13H,8,11H2,1-3H3
InChIKeyNEALIIPDXOQCDL-UHFFFAOYSA-N
MW763.87 g/mol
LogP9.66
Rot. Bonds6

About 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole

2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole (PubChem CID 159754111) has the molecular formula C45H40F3N9 and a molecular weight of 763.87 g/mol. Its IUPAC name is 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole.

Molecular Properties

Compound Name2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
PubChem CID159754111
Molecular FormulaC45H40F3N9
Molecular Weight763.87 g/mol
Exact Mass763.34
IUPAC Name2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
SMILESCc1ccc(C(F)(F)F)c2nc(CCc3nc4c5ccccc5ccc4n3C)cn12.Cc1ccc(C)n2cc(CCc3nc4c5cccnc5ccc4n3C)nc12
InChIInChI=1S/C23H19F3N4.C22H21N5/c1-14-7-10-18(23(24,25)26)22-27-16(13-30(14)22)9-12-20-28-21-17-6-4-3-5-15(17)8-11-19(21)29(20)2;1-14-6-7-15(2)27-13-16(24-22(14)27)8-11-20-25-21-17-5-4-12-23-18(17)9-10-19(21)26(20)3/h3-8,10-11,13H,9,12H2,1-2H3;4-7,9-10,12-13H,8,11H2,1-3H3
InChIKeyNEALIIPDXOQCDL-UHFFFAOYSA-N
XLogP9.66
TPSA83.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.87
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole?
The IUPAC name of 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole (CID 159754111) is 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole.
What is the SMILES notation for 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole?
The canonical SMILES for 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole is Cc1ccc(C(F)(F)F)c2nc(CCc3nc4c5ccccc5ccc4n3C)cn12.Cc1ccc(C)n2cc(CCc3nc4c5cccnc5ccc4n3C)nc12.
What is the InChIKey of 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole?
The InChIKey is NEALIIPDXOQCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4.C22H21N5/c1-14-7-10-18(23(24,25)26)22-27-16(13-30(14)22)9-12-20-28-21-17-6-4-3-5-15(17)8-11-19(21)29(20)2;1-14-6-7-15(2)27-13-16(24-22(14)27)8-11-20-25-21-17-5-4-12-23-18(17)9-10-19(21)26(20)3/h3-8,10-11,13H,9,12H2,1-2H3;4-7,9-10,12-13H,8,11H2,1-3H3.
What are the key properties of 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole?
2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole has a molecular weight of 763.87 g/mol, XLogP of 9.66, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole is sourced from PubChem (CID 159754111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).