3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole

C206H267N29O12S3 — CID 159946204

About 3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole

3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole (PubChem CID 159946204) has the molecular formula C206H267N29O12S3 and a molecular weight of 3443.83 g/mol. Its IUPAC name is 3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole.

Molecular Properties

• Compound Name: 3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole
• PubChem CID: 159946204
• Molecular Formula: C206H267N29O12S3
• Molecular Weight: 3443.83 g/mol
• Exact Mass: 3441.07
• IUPAC Name: 3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole
• SMILES: CC(C)N1C(=O)C(C)(C)c2ccccc21.CC(C)N1CC(C)(C)c2ccccc21.CC(C)N1CCOc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)c1cn(S(C)(=O)=O)c2ccccc12.CC(C)c1nn(C)c2ccccc12.CC(C)c1nn(S(C)(=O)=O)c2ccccc12.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)n(C)c2ccccc21.CC(C)n1cc(S(C)(=O)=O)c2ccccc21.CC(C)n1nnc2ccccc21.CCn1c(=O)n(C(C)C)c2ccccc21.CCn1cc(C(C)C)c2ccccc21.CCn1nc(C(C)C)c2ccccc21.Cc1cn(C(C)C)c2ccccc12.Cc1nc(C(C)C)c2ccccn12.[2H]C([2H])([2H])n1c(=O)n(C(C)C)c2ccccc21.[2H]C([2H])([2H])n1nc(C(C)C)c2ccccc21
• InChI: InChI=1S/C13H17NO.C13H19N.C13H17N.C12H16N2O.C12H16N2.2C12H15NO2S.C12H15N.C11H14N2O2S.2C11H14N2O.3C11H14N2.C11H15NO.C11H15N.C10H12N2O.C9H11N3/c1-9(2)14-11-8-6-5-7-10(11)13(3,4)12(14)15;1-10(2)14-9-13(3,4)11-7-5-6-8-12(11)14;1-4-14-9-12(10(2)3)11-7-5-6-8-13(11)14;1-4-13-10-7-5-6-8-11(10)14(9(2)3)12(13)15;1-4-14-11-8-6-5-7-10(11)12(13-14)9(2)3;1-9(2)11-8-13(16(3,14)15)12-7-5-4-6-10(11)12;1-9(2)13-8-12(16(3,14)15)10-6-4-5-7-11(10)13;1-9(2)13-8-10(3)11-6-4-5-7-12(11)13;1-8(2)11-9-6-4-5-7-10(9)13(12-11)16(3,14)15;2*1-8(2)13-10-7-5-4-6-9(10)12(3)11(13)14;2*1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)11-10-6-4-5-7-13(10)9(3)12-11;1-9(2)12-7-8-13-11-6-4-3-5-10(11)12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)12-9-6-4-3-5-8(9)11-10(12)13;1-7(2)12-9-6-4-3-5-8(9)10-11-12/h5-9H,1-4H3;5-8,10H,9H2,1-4H3;5-10H,4H2,1-3H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;2*4-9H,1-3H3;4-9H,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;3*4-8H,1-3H3;3-6,9H,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-7H,1-2H3,(H,11,13);3-7H,1-2H3/i;;;;;;;;;3D3;;3D3
• InChIKey: OBNCZKRLACXGAF-MKLAIRGMSA-N
• XLogP: 46.65
• TPSA: 399.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3443.83
LogP ≤ 5	46.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole?

The IUPAC name of 3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole (CID 159946204) is 3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole.

What is the SMILES notation for 3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole?

The canonical SMILES for 3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole is CC(C)N1C(=O)C(C)(C)c2ccccc21.CC(C)N1CC(C)(C)c2ccccc21.CC(C)N1CCOc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)c1cn(S(C)(=O)=O)c2ccccc12.CC(C)c1nn(C)c2ccccc12.CC(C)c1nn(S(C)(=O)=O)c2ccccc12.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)n(C)c2ccccc21.CC(C)n1cc(S(C)(=O)=O)c2ccccc21.CC(C)n1nnc2ccccc21.CCn1c(=O)n(C(C)C)c2ccccc21.CCn1cc(C(C)C)c2ccccc21.CCn1nc(C(C)C)c2ccccc21.Cc1cn(C(C)C)c2ccccc12.Cc1nc(C(C)C)c2ccccn12.[2H]C([2H])([2H])n1c(=O)n(C(C)C)c2ccccc21.[2H]C([2H])([2H])n1nc(C(C)C)c2ccccc21.

What is the InChIKey of 3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole?

The InChIKey is OBNCZKRLACXGAF-MKLAIRGMSA-N. The full InChI is InChI=1S/C13H17NO.C13H19N.C13H17N.C12H16N2O.C12H16N2.2C12H15NO2S.C12H15N.C11H14N2O2S.2C11H14N2O.3C11H14N2.C11H15NO.C11H15N.C10H12N2O.C9H11N3/c1-9(2)14-11-8-6-5-7-10(11)13(3,4)12(14)15;1-10(2)14-9-13(3,4)11-7-5-6-8-12(11)14;1-4-14-9-12(10(2)3)11-7-5-6-8-13(11)14;1-4-13-10-7-5-6-8-11(10)14(9(2)3)12(13)15;1-4-14-11-8-6-5-7-10(11)12(13-14)9(2)3;1-9(2)11-8-13(16(3,14)15)12-7-5-4-6-10(11)12;1-9(2)13-8-12(16(3,14)15)10-6-4-5-7-11(10)13;1-9(2)13-8-10(3)11-6-4-5-7-12(11)13;1-8(2)11-9-6-4-5-7-10(9)13(12-11)16(3,14)15;2*1-8(2)13-10-7-5-4-6-9(10)12(3)11(13)14;2*1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-8(2)11-10-6-4-5-7-13(10)9(3)12-11;1-9(2)12-7-8-13-11-6-4-3-5-10(11)12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)12-9-6-4-3-5-8(9)11-10(12)13;1-7(2)12-9-6-4-3-5-8(9)10-11-12/h5-9H,1-4H3;5-8,10H,9H2,1-4H3;5-10H,4H2,1-3H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;2*4-9H,1-3H3;4-9H,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;3*4-8H,1-3H3;3-6,9H,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-7H,1-2H3,(H,11,13);3-7H,1-2H3/i;;;;;;;;;3D3;;3D3;;;;;;.

What are the key properties of 3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole?

3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole has a molecular weight of 3443.83 g/mol, XLogP of 46.65, 26 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-ethyl-3-propan-2-ylindazole;1-ethyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-3-propan-2-ylindazole;3-methyl-1-propan-2-ylindole;1-methylsulfonyl-3-propan-2-ylindazole;1-methylsulfonyl-3-propan-2-ylindole;3-methylsulfonyl-1-propan-2-ylindole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one;3-propan-2-yl-1-(trideuteriomethyl)indazole is sourced from PubChem (CID 159946204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).