(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

C72H80N8O4 — CID 157376818

IUPAC(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
SMILESCC1(C)CCC[C@@H]([C@@H]2c3ccccc3-c3cncn32)C1=O.CC1(C)CCC[C@@H]([C@H]2c3ccccc3-c3cncn32)C1=O.CC1(C)CCC[C@H]([C@@H]2c3ccccc3-c3cncn32)C1=O.CC1(C)CCC[C@H]([C@H]2c3ccccc3-c3cncn32)C1=O
InChIInChI=1S/4C18H20N2O/c4*1-18(2)9-5-8-14(17(18)21)16-13-7-4-3-6-12(13)15-10-19-11-20(15)16/h4*3-4,6-7,10-11,14,16H,5,8-9H2,1-2H3/t2*14-,16+;2*14-,16-/m1010/s1
InChIKeyBKKNEYFKNINSCS-LGJKVLPBSA-N
MW1121.48 g/mol
LogP15.39
Rot. Bonds4

About (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

(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 (PubChem CID 157376818) has the molecular formula C72H80N8O4 and a molecular weight of 1121.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157376818
Molecular FormulaC72H80N8O4
Molecular Weight1121.48 g/mol
Exact Mass1120.63
IUPAC Name(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
SMILESCC1(C)CCC[C@@H]([C@@H]2c3ccccc3-c3cncn32)C1=O.CC1(C)CCC[C@@H]([C@H]2c3ccccc3-c3cncn32)C1=O.CC1(C)CCC[C@H]([C@@H]2c3ccccc3-c3cncn32)C1=O.CC1(C)CCC[C@H]([C@H]2c3ccccc3-c3cncn32)C1=O
InChIInChI=1S/4C18H20N2O/c4*1-18(2)9-5-8-14(17(18)21)16-13-7-4-3-6-12(13)15-10-19-11-20(15)16/h4*3-4,6-7,10-11,14,16H,5,8-9H2,1-2H3/t2*14-,16+;2*14-,16-/m1010/s1
InChIKeyBKKNEYFKNINSCS-LGJKVLPBSA-N
XLogP15.39
TPSA139.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001121.48
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze (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 with MolForge

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Related Compounds

1-((3r,5r,7r)-adamantan-1-yl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 122628885
1-(1-adamantyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 122499251
1-(1-adamantyl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone
CID 138962006
1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone
CID 138962007
5-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)acetyl]adamantan-2-one
CID 122499392
2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-(3-methyl-3-bicyclo[3.3.1]nonanyl)ethanone
CID 122499403
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;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
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
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
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
5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-[1-(3-fluorophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid)
CID 161635915

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)CCC[C@@H]([C@@H]2c3ccccc3-c3cncn32)C1=O.CC1(C)CCC[C@@H]([C@H]2c3ccccc3-c3cncn32)C1=O.CC1(C)CCC[C@H]([C@@H]2c3ccccc3-c3cncn32)C1=O.CC1(C)CCC[C@H]([C@H]2c3ccccc3-c3cncn32)C1=O.
What is the InChIKey of (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?
The InChIKey is BKKNEYFKNINSCS-LGJKVLPBSA-N. The full InChI is InChI=1S/4C18H20N2O/c4*1-18(2)9-5-8-14(17(18)21)16-13-7-4-3-6-12(13)15-10-19-11-20(15)16/h4*3-4,6-7,10-11,14,16H,5,8-9H2,1-2H3/t2*14-,16+;2*14-,16-/m1010/s1.
What are the key properties of (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?
(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 has a molecular weight of 1121.48 g/mol, XLogP of 15.39, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157376818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).