1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole

C113H143N15 — CID 158534573

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole
SMILES[2H]C([2H])([2H])N1C=CN(c2c(C)c3ccccc3n2-c2c(C(C)C)cccc2C(C)C)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)c3ccccc3n2-c2c(C)cc(C)cc2C)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)c3ccccc3n2-c2ccccc2C(C)C)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccn2-c2c(C(C)C)cccc2C(C)C)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccn2-c2ccccc2C([2H])(C)C([2H])([2H])[2H])[C@H]1C
InChIInChI=1S/C26H33N3.2C23H27N3.C22H31N3.C19H25N3/c1-17(2)21-12-10-13-22(18(3)4)25(21)29-24-14-9-8-11-23(24)19(5)26(29)28-16-15-27(7)20(28)6;1-15-13-16(2)22(17(3)14-15)26-21-10-8-7-9-20(21)18(4)23(26)25-12-11-24(6)19(25)5;1-16(2)19-10-6-8-12-21(19)26-22-13-9-7-11-20(22)17(3)23(26)25-15-14-24(5)18(25)4;1-15(2)19-9-8-10-20(16(3)4)21(19)25-12-11-17(5)22(25)24-14-13-23(7)18(24)6;1-14(2)17-8-6-7-9-18(17)22-11-10-15(3)19(22)21-13-12-20(5)16(21)4/h8-18,20H,1-7H3;7-14,19H,1-6H3;6-16,18H,1-5H3;8-16,18H,1-7H3;6-14,16H,1-5H3/t20-;19-;2*18-;16-/m00000/s1/i7D3;6D3;5D3;7D3;1D3,5D3,14D/t4m;14?,16-
InChIKeyHNUACGQCKIAOSU-FCOSXKPESA-N
MW1730.61 g/mol
LogP27.90
Rot. Bonds22

About 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole

1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole (PubChem CID 158534573) has the molecular formula C113H143N15 and a molecular weight of 1730.61 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole
PubChem CID158534573
Molecular FormulaC113H143N15
Molecular Weight1730.61 g/mol
Exact Mass1729.28
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole
SMILES[2H]C([2H])([2H])N1C=CN(c2c(C)c3ccccc3n2-c2c(C(C)C)cccc2C(C)C)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)c3ccccc3n2-c2c(C)cc(C)cc2C)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)c3ccccc3n2-c2ccccc2C(C)C)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccn2-c2c(C(C)C)cccc2C(C)C)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccn2-c2ccccc2C([2H])(C)C([2H])([2H])[2H])[C@H]1C
InChIInChI=1S/C26H33N3.2C23H27N3.C22H31N3.C19H25N3/c1-17(2)21-12-10-13-22(18(3)4)25(21)29-24-14-9-8-11-23(24)19(5)26(29)28-16-15-27(7)20(28)6;1-15-13-16(2)22(17(3)14-15)26-21-10-8-7-9-20(21)18(4)23(26)25-12-11-24(6)19(25)5;1-16(2)19-10-6-8-12-21(19)26-22-13-9-7-11-20(22)17(3)23(26)25-15-14-24(5)18(25)4;1-15(2)19-9-8-10-20(16(3)4)21(19)25-12-11-17(5)22(25)24-14-13-23(7)18(24)6;1-14(2)17-8-6-7-9-18(17)22-11-10-15(3)19(22)21-13-12-20(5)16(21)4/h8-18,20H,1-7H3;7-14,19H,1-6H3;6-16,18H,1-5H3;8-16,18H,1-7H3;6-14,16H,1-5H3/t20-;19-;2*18-;16-/m00000/s1/i7D3;6D3;5D3;7D3;1D3,5D3,14D/t4m;14?,16-
InChIKeyHNUACGQCKIAOSU-FCOSXKPESA-N
XLogP27.90
TPSA57.05 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001730.61
LogP ≤ 527.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole with MolForge

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Related Compounds

CID 178298252
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CID 4323416
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CID 172450808
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CID 172466876
CID 172466876
CID 101081493
CID 101081493
CID 15857511
CID 15857511
CID 60086810
CID 60086810
CID 102189981
CID 102189981
CID 129221377
CID 129221377
CID 129221457
CID 129221457
CID 129221536
CID 129221536
CID 129221974
CID 129221974

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole (CID 158534573) is 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole is [2H]C([2H])([2H])N1C=CN(c2c(C)c3ccccc3n2-c2c(C(C)C)cccc2C(C)C)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)c3ccccc3n2-c2c(C)cc(C)cc2C)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)c3ccccc3n2-c2ccccc2C(C)C)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccn2-c2c(C(C)C)cccc2C(C)C)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccn2-c2ccccc2C([2H])(C)C([2H])([2H])[2H])[C@H]1C.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole?
The InChIKey is HNUACGQCKIAOSU-FCOSXKPESA-N. The full InChI is InChI=1S/C26H33N3.2C23H27N3.C22H31N3.C19H25N3/c1-17(2)21-12-10-13-22(18(3)4)25(21)29-24-14-9-8-11-23(24)19(5)26(29)28-16-15-27(7)20(28)6;1-15-13-16(2)22(17(3)14-15)26-21-10-8-7-9-20(21)18(4)23(26)25-12-11-24(6)19(25)5;1-16(2)19-10-6-8-12-21(19)26-22-13-9-7-11-20(22)17(3)23(26)25-15-14-24(5)18(25)4;1-15(2)19-9-8-10-20(16(3)4)21(19)25-12-11-17(5)22(25)24-14-13-23(7)18(24)6;1-14(2)17-8-6-7-9-18(17)22-11-10-15(3)19(22)21-13-12-20(5)16(21)4/h8-18,20H,1-7H3;7-14,19H,1-6H3;6-16,18H,1-5H3;8-16,18H,1-7H3;6-14,16H,1-5H3/t20-;19-;2*18-;16-/m00000/s1/i7D3;6D3;5D3;7D3;1D3,5D3,14D/t4m;14?,16-.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole?
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole has a molecular weight of 1730.61 g/mol, XLogP of 27.90, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole;(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylpyrrol-2-yl]-2-methyl-3-(trideuteriomethyl)-2H-imidazole;(2S)-2-methyl-1-[3-methyl-1-[2-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2-propan-2-ylphenyl)indole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-1-(2,4,6-trimethylphenyl)indole is sourced from PubChem (CID 158534573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).