5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid

C60H58F6N8O2 — CID 161366967

IUPAC5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid
SMILESFc1cccc2c1C(C1CCCCC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3ccccc3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3ccccc3)CC1)n1cncc1-2.O=C(O)C(F)(F)F
InChIInChI=1S/2C21H20FN3.C16H17FN2.C2HF3O2/c2*22-18-8-4-7-17-19-13-23-14-25(19)21(20(17)18)15-9-11-24(12-10-15)16-5-2-1-3-6-16;17-13-8-4-7-12-14-9-18-10-19(14)16(15(12)13)11-5-2-1-3-6-11;3-2(4,5)1(6)7/h2*1-8,13-15,21H,9-12H2;4,7-11,16H,1-3,5-6H2;(H,6,7)
InChIKeyQHOYIBVLCUSLLK-UHFFFAOYSA-N
MW1037.17 g/mol
LogP13.82
Rot. Bonds5

About 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid

5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid (PubChem CID 161366967) has the molecular formula C60H58F6N8O2 and a molecular weight of 1037.17 g/mol. Its IUPAC name is 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid
PubChem CID161366967
Molecular FormulaC60H58F6N8O2
Molecular Weight1037.17 g/mol
Exact Mass1036.46
IUPAC Name5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid
SMILESFc1cccc2c1C(C1CCCCC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3ccccc3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3ccccc3)CC1)n1cncc1-2.O=C(O)C(F)(F)F
InChIInChI=1S/2C21H20FN3.C16H17FN2.C2HF3O2/c2*22-18-8-4-7-17-19-13-23-14-25(19)21(20(17)18)15-9-11-24(12-10-15)16-5-2-1-3-6-16;17-13-8-4-7-12-14-9-18-10-19(14)16(15(12)13)11-5-2-1-3-6-11;3-2(4,5)1(6)7/h2*1-8,13-15,21H,9-12H2;4,7-11,16H,1-3,5-6H2;(H,6,7)
InChIKeyQHOYIBVLCUSLLK-UHFFFAOYSA-N
XLogP13.82
TPSA97.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.17
LogP ≤ 513.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole;2,2,2-trifluoroacetic acid
CID 134279084
6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;2,2,2-trifluoroacetic acid
CID 134279087
6-fluoro-5-(1-pyrimidin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole;2,2,2-trifluoroacetic acid
CID 134279090
6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;2,2,2-trifluoroacetic acid
CID 134279100
6-fluoro-5-(1-phenylpyrrolidin-3-yl)-5H-imidazo[5,1-a]isoindole;2,2,2-trifluoroacetic acid
CID 134279109
6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;2,2,2-trifluoroacetic acid
CID 134279111
7-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole;2,2,2-trifluoroacetic acid
CID 134279117
6-fluoro-5-[1-(3-fluorophenyl)piperidin-3-yl]-5H-imidazo[5,1-a]isoindole;2,2,2-trifluoroacetic acid
CID 134279121
6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole;2,2,2-trifluoroacetic acid
CID 134279137
Bis(1-cyclohexyl-2-(10-fluoro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol);tetrakis(1-(4,4-difluorocyclohexyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol)
CID 157558543
Tris(4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-phenylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;3-methyl-5-(1-propan-2-ylimidazol-2-yl)-2,4-diaza-1-azanidacyclopenta-2,4-diene;tris(platinum(2+))
CID 157741783
tris(6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)
CID 157849041

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid?
The IUPAC name of 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid (CID 161366967) is 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid is Fc1cccc2c1C(C1CCCCC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3ccccc3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3ccccc3)CC1)n1cncc1-2.O=C(O)C(F)(F)F.
What is the InChIKey of 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid?
The InChIKey is QHOYIBVLCUSLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20FN3.C16H17FN2.C2HF3O2/c2*22-18-8-4-7-17-19-13-23-14-25(19)21(20(17)18)15-9-11-24(12-10-15)16-5-2-1-3-6-16;17-13-8-4-7-12-14-9-18-10-19(14)16(15(12)13)11-5-2-1-3-6-11;3-2(4,5)1(6)7/h2*1-8,13-15,21H,9-12H2;4,7-11,16H,1-3,5-6H2;(H,6,7).
What are the key properties of 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid?
5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid has a molecular weight of 1037.17 g/mol, XLogP of 13.82, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;bis(6-fluoro-5-(1-phenylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161366967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).