6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole

C108H118Cl6F8N12O4 — CID 159994667

IUPAC6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole
SMILESFC1(CCC2c3c(Cl)cccc3-c3cncn32)CCCCC1.FC1(F)CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.OC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.OC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.OC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.OC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1
InChIInChI=1S/C18H18ClF3N2.4C18H20ClFN2O.C18H20ClFN2/c19-13-3-1-2-12-15-10-23-11-24(15)14(16(12)13)4-5-17(20)6-8-18(21,22)9-7-17;4*19-14-3-1-2-13-16-10-21-11-22(16)15(17(13)14)6-9-18(20)7-4-12(23)5-8-18;19-14-6-4-5-13-16-11-21-12-22(16)15(17(13)14)7-10-18(20)8-2-1-3-9-18/h1-3,10-11,14H,4-9H2;4*1-3,10-12,15,23H,4-9H2;4-6,11-12,15H,1-3,7-10H2
InChIKeyOHJRSYGFCHLDEI-UHFFFAOYSA-N
MW2012.91 g/mol
LogP29.48
Rot. Bonds18

About 6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole

6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole (PubChem CID 159994667) has the molecular formula C108H118Cl6F8N12O4 and a molecular weight of 2012.91 g/mol. Its IUPAC name is 6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole
PubChem CID159994667
Molecular FormulaC108H118Cl6F8N12O4
Molecular Weight2012.91 g/mol
Exact Mass2008.74
IUPAC Name6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole
SMILESFC1(CCC2c3c(Cl)cccc3-c3cncn32)CCCCC1.FC1(F)CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.OC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.OC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.OC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.OC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1
InChIInChI=1S/C18H18ClF3N2.4C18H20ClFN2O.C18H20ClFN2/c19-13-3-1-2-12-15-10-23-11-24(15)14(16(12)13)4-5-17(20)6-8-18(21,22)9-7-17;4*19-14-3-1-2-13-16-10-21-11-22(16)15(17(13)14)6-9-18(20)7-4-12(23)5-8-18;19-14-6-4-5-13-16-11-21-12-22(16)15(17(13)14)7-10-18(20)8-2-1-3-9-18/h1-3,10-11,14H,4-9H2;4*1-3,10-12,15,23H,4-9H2;4-6,11-12,15H,1-3,7-10H2
InChIKeyOHJRSYGFCHLDEI-UHFFFAOYSA-N
XLogP29.48
TPSA187.84 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002012.91
LogP ≤ 529.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole with MolForge

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Related Compounds

1,2-bis[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]ethane-1,2-diol
CID 118938900
1,2-bis[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]ethane-1,2-diol
CID 118938901
(5R)-5-[(1R)-3,3-difluorocyclohexyl]-5H-imidazo[5,1-a]isoindole;(2R)-4,4-difluoro-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol
CID 145337896
(5R)-5-[(1S)-3,3-difluorocyclohexyl]-5H-imidazo[5,1-a]isoindole;trans-(1R,2S)-4,4-difluoro-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol
CID 145337943
1-cyclohexyl-2-(6,7-dihydro-5H-imidazo[5,1-a][2]benzazepin-5-yl)ethanol;1-cyclohexyl-2-(5,6-dihydroimidazo[5,1-a]isoquinolin-5-yl)ethanol;bis(1-cyclohexyl-2-[5-(trifluoromethyl)imidazo[1,5-b]isoindol-5-yl]ethanol);bis(4-[2-[6-fluoro-5-(trifluoromethyl)imidazo[1,5-b]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol)
CID 157290860
bis(6-chloro-5-[2-(6-fluorospiro[2.5]octan-6-yl)ethyl]-5H-imidazo[5,1-a]isoindole);tris(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexane-1-carboxamide);2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)-1-(1,4,4-trifluorocyclohexyl)ethanol
CID 157296258
Bis(2-(10-chloro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)-1-(4,4-difluorocyclohexyl)ethanol);7-(2-cyclohexylethyl)-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;7-[2-(4,4-difluorocyclohexyl)ethyl]-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene;7-[2-(4,4-dimethylcyclohexyl)ethyl]-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene
CID 158344850
5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-5H-imidazo[5,1-a]isoindole;5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;tetrakis(1-cyclohexyl-2-(4,6,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol)
CID 159436966
1-(4,4-difluorocyclohexyl)-2-[10-(trifluoromethyl)-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl]ethanol;bis(4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol);bis(4-[1,1-difluoro-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol);1-[4-(hydroxymethyl)cyclohexyl]-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol
CID 159872921
trans-(1R,6R)-2,2-difluoro-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol;trans-(1R,6R)-2,2-difluoro-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol;trans-(1S,6S)-2,2-difluoro-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol;trans-(1S,6S)-2,2-difluoro-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-ol
CID 159874874
1-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]cyclopropan-1-ol;bis(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]propan-2-ol);tris(2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)-1-(1,4,4-trifluorocyclohexyl)ethanol)
CID 160103268
2,2-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(4-methyl-1-bicyclo[2.2.2]octanyl)ethanol;4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]bicyclo[2.2.2]octan-1-ol;methane
CID 160297073

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole (CID 159994667) is 6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole is FC1(CCC2c3c(Cl)cccc3-c3cncn32)CCCCC1.FC1(F)CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.OC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.OC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.OC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.OC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.
What is the InChIKey of 6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole?
The InChIKey is OHJRSYGFCHLDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2.4C18H20ClFN2O.C18H20ClFN2/c19-13-3-1-2-12-15-10-23-11-24(15)14(16(12)13)4-5-17(20)6-8-18(21,22)9-7-17;4*19-14-3-1-2-13-16-10-21-11-22(16)15(17(13)14)6-9-18(20)7-4-12(23)5-8-18;19-14-6-4-5-13-16-11-21-12-22(16)15(17(13)14)7-10-18(20)8-2-1-3-9-18/h1-3,10-11,14H,4-9H2;4*1-3,10-12,15,23H,4-9H2;4-6,11-12,15H,1-3,7-10H2.
What are the key properties of 6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole?
6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole has a molecular weight of 2012.91 g/mol, XLogP of 29.48, 18 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexan-1-ol);6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 159994667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).