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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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

C123H161N19O6 — CID 157131307

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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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

3,3-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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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 (PubChem CID 157131307) has the molecular formula C123H161N19O6 and a molecular weight of 2004.79 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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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.

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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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
• PubChem CID: 157131307
• Molecular Formula: C123H161N19O6
• Molecular Weight: 2004.79 g/mol
• Exact Mass: 2003.31
• 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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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
• SMILES: CC(C)N1C(=O)C(C)(C)c2ccccc21.CC(C)N1CC(C)(C)c2ccccc21.CC(C)N1CCOc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)c1cccc2c1cnn2C.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)n(C)c2ccccc21.CC(C)n1nnc2ccccc21.CCn1c(=O)n(C(C)C)c2ccccc21.Cc1nc(C(C)C)c2ccccn12.[2H]C([2H])([2H])n1c(=O)n(C(C)C)c2ccccc21
• InChI: InChI=1S/C13H17NO.C13H19N.C12H16N2O.2C11H14N2O.2C11H14N2.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;1-4-13-10-7-5-6-8-11(10)14(9(2)3)12(13)15;2*1-8(2)13-10-7-5-4-6-9(10)12(3)11(13)14;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;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;5-9H,4H2,1-3H3;2*4-8H,1-3H3;2*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
• InChIKey: AJCLVFJBWACAMN-JEHFSCQBSA-N
• XLogP: 26.29
• TPSA: 223.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2004.79
LogP ≤ 5	26.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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?

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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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 (CID 157131307) 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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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.

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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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?

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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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 is CC(C)N1C(=O)C(C)(C)c2ccccc21.CC(C)N1CC(C)(C)c2ccccc21.CC(C)N1CCOc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)c1cccc2c1cnn2C.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)n(C)c2ccccc21.CC(C)n1nnc2ccccc21.CCn1c(=O)n(C(C)C)c2ccccc21.Cc1nc(C(C)C)c2ccccn12.[2H]C([2H])([2H])n1c(=O)n(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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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?

The InChIKey is AJCLVFJBWACAMN-JEHFSCQBSA-N. The full InChI is InChI=1S/C13H17NO.C13H19N.C12H16N2O.2C11H14N2O.2C11H14N2.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;1-4-13-10-7-5-6-8-11(10)14(9(2)3)12(13)15;2*1-8(2)13-10-7-5-4-6-9(10)12(3)11(13)14;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;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;5-9H,4H2,1-3H3;2*4-8H,1-3H3;2*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;;;;;;;.

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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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?

3,3-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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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 has a molecular weight of 2004.79 g/mol, XLogP of 26.29, 13 rotatable bonds, 1 hydrogen bond donors, and 23 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-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;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 is sourced from PubChem (CID 157131307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).