5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole

C75H84Br2F4N8OS2 — CID 159327273

IUPAC5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole
SMILESFC(F)(CC1c2ccccc2-c2c(Br)nc(Br)n21)C1CCCCC1.FC(F)(CC1c2ccccc2-c2cncn21)C1CCCCC1.O=C(CC1c2ccccc2-c2cncn21)C1CCCCC1.c1ccc2c(c1)-c1cncn1C2CC1(C2CCCCC2)SCCCS1
InChIInChI=1S/C21H26N2S2.C18H18Br2F2N2.C18H20F2N2.C18H20N2O/c1-2-7-16(8-3-1)21(24-11-6-12-25-21)13-19-17-9-4-5-10-18(17)20-14-22-15-23(19)20;19-16-15-13-9-5-4-8-12(13)14(24(15)17(20)23-16)10-18(21,22)11-6-2-1-3-7-11;19-18(20,13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-21-12-22(16)17;21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,9-10,14-16,19H,1-3,6-8,11-13H2;4-5,8-9,11,14H,1-3,6-7,10H2;4-5,8-9,11-13,16H,1-3,6-7,10H2;4-5,8-9,11-13,16H,1-3,6-7,10H2
InChIKeyLENGZWFYUAHDGW-UHFFFAOYSA-N
MW1413.49 g/mol
LogP21.62
Rot. Bonds12

About 5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole

5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole (PubChem CID 159327273) has the molecular formula C75H84Br2F4N8OS2 and a molecular weight of 1413.49 g/mol. Its IUPAC name is 5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole
PubChem CID159327273
Molecular FormulaC75H84Br2F4N8OS2
Molecular Weight1413.49 g/mol
Exact Mass1410.45
IUPAC Name5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole
SMILESFC(F)(CC1c2ccccc2-c2c(Br)nc(Br)n21)C1CCCCC1.FC(F)(CC1c2ccccc2-c2cncn21)C1CCCCC1.O=C(CC1c2ccccc2-c2cncn21)C1CCCCC1.c1ccc2c(c1)-c1cncn1C2CC1(C2CCCCC2)SCCCS1
InChIInChI=1S/C21H26N2S2.C18H18Br2F2N2.C18H20F2N2.C18H20N2O/c1-2-7-16(8-3-1)21(24-11-6-12-25-21)13-19-17-9-4-5-10-18(17)20-14-22-15-23(19)20;19-16-15-13-9-5-4-8-12(13)14(24(15)17(20)23-16)10-18(21,22)11-6-2-1-3-7-11;19-18(20,13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-21-12-22(16)17;21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,9-10,14-16,19H,1-3,6-8,11-13H2;4-5,8-9,11,14H,1-3,6-7,10H2;4-5,8-9,11-13,16H,1-3,6-7,10H2;4-5,8-9,11-13,16H,1-3,6-7,10H2
InChIKeyLENGZWFYUAHDGW-UHFFFAOYSA-N
XLogP21.62
TPSA88.35 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001413.49
LogP ≤ 521.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole with MolForge

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Related Compounds

5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-6-fluoro-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-6-fluoro-5H-imidazo[5,1-a]isoindole
CID 159055657
5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 160256937
(6R)-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclohexan-1-one;(6R)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclohexan-1-one;(6S)-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclohexan-1-one;(6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclohexan-1-one
CID 157376818
2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide;tris(4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-sulfonamide);5-[2-(1-fluoro-4-methylsulfonylcyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole
CID 157456472
(2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-one;(2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-one;(2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-one;(2R)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]cyclohexan-1-one
CID 158727199
(3R)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-one;(3R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-one;(3S)-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-one;(3S)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-one
CID 159438279

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole (CID 159327273) is 5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole is FC(F)(CC1c2ccccc2-c2c(Br)nc(Br)n21)C1CCCCC1.FC(F)(CC1c2ccccc2-c2cncn21)C1CCCCC1.O=C(CC1c2ccccc2-c2cncn21)C1CCCCC1.c1ccc2c(c1)-c1cncn1C2CC1(C2CCCCC2)SCCCS1.
What is the InChIKey of 5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole?
The InChIKey is LENGZWFYUAHDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2S2.C18H18Br2F2N2.C18H20F2N2.C18H20N2O/c1-2-7-16(8-3-1)21(24-11-6-12-25-21)13-19-17-9-4-5-10-18(17)20-14-22-15-23(19)20;19-16-15-13-9-5-4-8-12(13)14(24(15)17(20)23-16)10-18(21,22)11-6-2-1-3-7-11;19-18(20,13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-21-12-22(16)17;21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,9-10,14-16,19H,1-3,6-8,11-13H2;4-5,8-9,11,14H,1-3,6-7,10H2;4-5,8-9,11-13,16H,1-3,6-7,10H2;4-5,8-9,11-13,16H,1-3,6-7,10H2.
What are the key properties of 5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole?
5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole has a molecular weight of 1413.49 g/mol, XLogP of 21.62, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole;5-[(2-cyclohexyl-1,3-dithian-2-yl)methyl]-5H-imidazo[5,1-a]isoindole;1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone;1,3-dibromo-5-(2-cyclohexyl-2,2-difluoroethyl)-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 159327273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).