About 5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-one;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetaldehyde;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetonitrile;2-[4-[3-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanedinitrile;2-[1-hydroxy-5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-yl]acetonitrile
5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-one;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetaldehyde;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetonitrile;2-[4-[3-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanedinitrile;2-[1-hydroxy-5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-yl]acetonitrile (PubChem CID 159267707) has the molecular formula C129H155N15O4
and a molecular weight of 1979.76 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-one;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetaldehyde;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetonitrile;2-[4-[3-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanedinitrile;2-[1-hydroxy-5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-yl]acetonitrile.
Frequently Asked Questions
What is the IUPAC name of 5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-one;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetaldehyde;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetonitrile;2-[4-[3-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanedinitrile;2-[1-hydroxy-5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-yl]acetonitrile?
The IUPAC name of 5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-one;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetaldehyde;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetonitrile;2-[4-[3-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanedinitrile;2-[1-hydroxy-5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-yl]acetonitrile (CID 159267707) is 5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-one;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetaldehyde;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetonitrile;2-[4-[3-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanedinitrile;2-[1-hydroxy-5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-yl]acetonitrile.
What is the SMILES notation for 5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-one;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetaldehyde;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetonitrile;2-[4-[3-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanedinitrile;2-[1-hydroxy-5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-yl]acetonitrile?
The canonical SMILES for 5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-one;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetaldehyde;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetonitrile;2-[4-[3-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanedinitrile;2-[1-hydroxy-5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-yl]acetonitrile is Cc1ccc2nc(/C=C/C3=CC(=CC#N)CC(C)(C)C3)n(CC(C)C)c2c1.Cc1ccc2nc(/C=C/C3=CC(=CC=O)CC(C)(C)C3)n(CC(C)C)c2c1.Cc1ccc2nc(/C=C/C3=CC(=O)CC(C)(C)C3)n(CC(C)C)c2c1.Cc1ccc2nc(/C=C/C3=CC(O)(CC#N)CC(C)(C)C3)n(CC(C)C)c2c1.[C-]#[N+]C1=C(C=CC=C2C=C(/C=C/c3nc4ccc(C)cc4n3CC(C)C)CC(C)(C)C2)C(C)(C)OC1=C(C#N)C#N.
What is the InChIKey of 5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-one;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetaldehyde;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetonitrile;2-[4-[3-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanedinitrile;2-[1-hydroxy-5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-yl]acetonitrile?
The InChIKey is KXHVIVRZBQONNW-SHUBTSSGSA-N. The full InChI is InChI=1S/C35H37N5O.C24H31N3O.C24H29N3.C24H30N2O.C22H28N2O/c1-23(2)22-40-30-16-24(3)12-14-29(30)39-31(40)15-13-26-17-25(18-34(4,5)19-26)10-9-11-28-32(38-8)33(27(20-36)21-37)41-35(28,6)7;1-17(2)15-27-21-12-18(3)6-8-20(21)26-22(27)9-7-19-13-23(4,5)16-24(28,14-19)10-11-25;1-17(2)16-27-22-12-18(3)6-8-21(22)26-23(27)9-7-19-13-20(10-11-25)15-24(4,5)14-19;1-17(2)16-26-22-12-18(3)6-8-21(22)25-23(26)9-7-19-13-20(10-11-27)15-24(4,5)14-19;1-15(2)14-24-20-10-16(3)6-8-19(20)23-21(24)9-7-17-11-18(25)13-22(4,5)12-17/h9-17,23H,18-19,22H2,1-7H3;6-9,12,14,17,28H,10,13,15-16H2,1-5H3;6-10,12-13,17H,14-16H2,1-5H3;6-13,17H,14-16H2,1-5H3;6-11,15H,12-14H2,1-5H3/b11-9?,15-13+,25-10?;9-7+;2*9-7+,20-10?;9-7+.
What are the key properties of 5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-one;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetaldehyde;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetonitrile;2-[4-[3-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanedinitrile;2-[1-hydroxy-5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-yl]acetonitrile?
5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-one;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetaldehyde;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetonitrile;2-[4-[3-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanedinitrile;2-[1-hydroxy-5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-yl]acetonitrile has a molecular weight of 1979.76 g/mol, XLogP of 31.36, 24 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-one;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetaldehyde;2-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]acetonitrile;2-[4-[3-[5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanedinitrile;2-[1-hydroxy-5,5-dimethyl-3-[(E)-2-[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]ethenyl]cyclohex-2-en-1-yl]acetonitrile is sourced from PubChem (CID 159267707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).