1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole

C26H33N3 — CID 118262173

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole
SMILES[2H]C([2H])([2H])N1C=CN(c2c(C)c3ccccc3n2-c2c(C(C)C)cccc2C(C)C)[C@H]1C
InChIInChI=1S/C26H33N3/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/h8-18,20H,1-7H3/t20-/m0/s1/i7D3
InChIKeyBBKKKDINEACMET-YAMWQXHTSA-N
MW390.59 g/mol
LogP6.75
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole

1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole (PubChem CID 118262173) has the molecular formula C26H33N3 and a molecular weight of 390.59 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.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole
PubChem CID118262173
Molecular FormulaC26H33N3
Molecular Weight390.59 g/mol
Exact Mass390.29
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole
SMILES[2H]C([2H])([2H])N1C=CN(c2c(C)c3ccccc3n2-c2c(C(C)C)cccc2C(C)C)[C@H]1C
InChIInChI=1S/C26H33N3/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/h8-18,20H,1-7H3/t20-/m0/s1/i7D3
InChIKeyBBKKKDINEACMET-YAMWQXHTSA-N
XLogP6.75
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.59
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
(2S)-2-methyl-1-[3-methyl-1-(2-propan-2-ylphenyl)pyrrol-2-yl]-3-(trideuteriomethyl)-2H-imidazole
CID 118262176
8-(2-propan-2-ylphenyl)-13-(trideuteriomethyl)-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene
CID 118262199
(2S)-1-[3,5-dimethyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]pyrrol-2-yl]-2,3-dimethyl-2H-imidazole
CID 118262154
13-methyl-8-[4-phenyl-2,6-di(propan-2-yl)phenyl]-8,10,13-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11-pentaene
CID 118262211
2-[6-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium-2-yl]-1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium
CID 153489169
(2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole
CID 140920542
9-[1-[2,6-bis(trideuteriomethyl)phenyl]-3-propan-2-ylpyrrol-2-yl]-1-propan-2-ylcarbazole
CID 155616178
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine
CID 148740840
8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline
CID 140917845
(2S)-1-[1-(2,6-diphenylphenyl)-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole
CID 118262158
3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
CID 159518197

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?
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 (CID 118262173) is 1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]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?
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 is [2H]C([2H])([2H])N1C=CN(c2c(C)c3ccccc3n2-c2c(C(C)C)cccc2C(C)C)[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?
The InChIKey is BBKKKDINEACMET-YAMWQXHTSA-N. The full InChI is InChI=1S/C26H33N3/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/h8-18,20H,1-7H3/t20-/m0/s1/i7D3.
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?
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole has a molecular weight of 390.59 g/mol, XLogP of 6.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 118262173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).