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

C75H80Br2F8N8OS2 — CID 159055657

IUPAC5-(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
SMILESFc1cccc2c1C(CC(F)(F)C1CCCCC1)n1c(Br)nc(Br)c1-2.Fc1cccc2c1C(CC(F)(F)C1CCCCC1)n1cncc1-2.Fc1cccc2c1C(CC1(C3CCCCC3)SCCCS1)n1cncc1-2.O=C(CC1c2c(F)cccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C21H25FN2S2.C18H17Br2F3N2.C18H19F3N2.C18H19FN2O/c22-17-9-4-8-16-19-13-23-14-24(19)18(20(16)17)12-21(25-10-5-11-26-21)15-6-2-1-3-7-15;19-16-15-11-7-4-8-12(21)14(11)13(25(15)17(20)24-16)9-18(22,23)10-5-2-1-3-6-10;19-14-8-4-7-13-16-10-22-11-23(16)15(17(13)14)9-18(20,21)12-5-2-1-3-6-12;19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,8-9,13-15,18H,1-3,5-7,10-12H2;4,7-8,10,13H,1-3,5-6,9H2;4,7-8,10-12,15H,1-3,5-6,9H2;4,7-8,10-12,15H,1-3,5-6,9H2
InChIKeyJXVBQLILNYNKJZ-UHFFFAOYSA-N
MW1485.45 g/mol
LogP22.18
Rot. Bonds12

About 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

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 (PubChem CID 159055657) has the molecular formula C75H80Br2F8N8OS2 and a molecular weight of 1485.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID159055657
Molecular FormulaC75H80Br2F8N8OS2
Molecular Weight1485.45 g/mol
Exact Mass1482.41
IUPAC Name5-(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
SMILESFc1cccc2c1C(CC(F)(F)C1CCCCC1)n1c(Br)nc(Br)c1-2.Fc1cccc2c1C(CC(F)(F)C1CCCCC1)n1cncc1-2.Fc1cccc2c1C(CC1(C3CCCCC3)SCCCS1)n1cncc1-2.O=C(CC1c2c(F)cccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C21H25FN2S2.C18H17Br2F3N2.C18H19F3N2.C18H19FN2O/c22-17-9-4-8-16-19-13-23-14-24(19)18(20(16)17)12-21(25-10-5-11-26-21)15-6-2-1-3-7-15;19-16-15-11-7-4-8-12(21)14(11)13(25(15)17(20)24-16)9-18(22,23)10-5-2-1-3-6-10;19-14-8-4-7-13-16-10-22-11-23(16)15(17(13)14)9-18(20,21)12-5-2-1-3-6-12;19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,8-9,13-15,18H,1-3,5-7,10-12H2;4,7-8,10,13H,1-3,5-6,9H2;4,7-8,10-12,15H,1-3,5-6,9H2;4,7-8,10-12,15H,1-3,5-6,9H2
InChIKeyJXVBQLILNYNKJZ-UHFFFAOYSA-N
XLogP22.18
TPSA88.35 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001485.45
LogP ≤ 522.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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
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)-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1cccc2c1C(CC(F)(F)C1CCCCC1)n1c(Br)nc(Br)c1-2.Fc1cccc2c1C(CC(F)(F)C1CCCCC1)n1cncc1-2.Fc1cccc2c1C(CC1(C3CCCCC3)SCCCS1)n1cncc1-2.O=C(CC1c2c(F)cccc2-c2cncn21)C1CCCCC1.
What is the InChIKey of 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?
The InChIKey is JXVBQLILNYNKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2S2.C18H17Br2F3N2.C18H19F3N2.C18H19FN2O/c22-17-9-4-8-16-19-13-23-14-24(19)18(20(16)17)12-21(25-10-5-11-26-21)15-6-2-1-3-7-15;19-16-15-11-7-4-8-12(21)14(11)13(25(15)17(20)24-16)9-18(22,23)10-5-2-1-3-6-10;19-14-8-4-7-13-16-10-22-11-23(16)15(17(13)14)9-18(20,21)12-5-2-1-3-6-12;19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,8-9,13-15,18H,1-3,5-7,10-12H2;4,7-8,10,13H,1-3,5-6,9H2;4,7-8,10-12,15H,1-3,5-6,9H2;4,7-8,10-12,15H,1-3,5-6,9H2.
What are the key properties of 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?
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 has a molecular weight of 1485.45 g/mol, XLogP of 22.18, 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)-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 is sourced from PubChem (CID 159055657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).