5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole

C125H148ClF12N15O5 — CID 159592086

About 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole

5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole (PubChem CID 159592086) has the molecular formula C125H148ClF12N15O5 and a molecular weight of 2204.09 g/mol. Its IUPAC name is 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole.

Molecular Properties

• Compound Name: 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole
• PubChem CID: 159592086
• Molecular Formula: C125H148ClF12N15O5
• Molecular Weight: 2204.09 g/mol
• Exact Mass: 2202.13
• IUPAC Name: 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole
• SMILES: CC(C)c1c[nH]c2ccc(C(F)(F)F)cc12.CC(C)c1ccc(F)cc1.CC(C)n1c(C(F)(F)F)cc2ccccc21.CC(C)n1ccc2cc(Cl)ccc21.CC(C)n1ccc2cc(F)c(F)cc21.CC(C)n1ccc2ccc(C(F)(F)F)cc21.CC(C)n1ncc2ccc(O)cc21.COC1CN(C(=O)c2cc(C(C)C)nn2C(C)C)C1.COc1cccc(C(C)C)c1.Cc1cc2[nH]cc(C(C)C)c2cc1O.Cc1nc2n(C(C)C)c3ccccc3n2n1
• InChI: InChI=1S/C14H23N3O2.3C12H12F3N.C12H14N4.C12H15NO.C11H12ClN.C11H11F2N.C10H12N2O.C10H14O.C9H11F/c1-9(2)12-6-13(17(15-12)10(3)4)14(18)16-7-11(8-16)19-5;1-7(2)10-6-16-11-4-3-8(5-9(10)11)12(13,14)15;1-8(2)16-6-5-9-3-4-10(7-11(9)16)12(13,14)15;1-8(2)16-10-6-4-3-5-9(10)7-11(16)12(13,14)15;1-8(2)15-10-6-4-5-7-11(10)16-12(15)13-9(3)14-16;1-7(2)10-6-13-11-4-8(3)12(14)5-9(10)11;1-8(2)13-6-5-9-7-10(12)3-4-11(9)13;1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14;1-7(2)12-10-5-9(13)4-3-8(10)6-11-12;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-3-5-9(10)6-4-8/h6,9-11H,7-8H2,1-5H3;3-7,16H,1-2H3;2*3-8H,1-2H3;4-8H,1-3H3;4-7,13-14H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;3-7,13H,1-2H3;4-8H,1-3H3;3-7H,1-2H3
• InChIKey: MKJHOOXFVRAPAO-UHFFFAOYSA-N
• XLogP: 36.20
• TPSA: 201.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2204.09
LogP ≤ 5	36.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole?

The IUPAC name of 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole (CID 159592086) is 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole.

What is the SMILES notation for 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole?

The canonical SMILES for 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole is CC(C)c1c[nH]c2ccc(C(F)(F)F)cc12.CC(C)c1ccc(F)cc1.CC(C)n1c(C(F)(F)F)cc2ccccc21.CC(C)n1ccc2cc(Cl)ccc21.CC(C)n1ccc2cc(F)c(F)cc21.CC(C)n1ccc2ccc(C(F)(F)F)cc21.CC(C)n1ncc2ccc(O)cc21.COC1CN(C(=O)c2cc(C(C)C)nn2C(C)C)C1.COc1cccc(C(C)C)c1.Cc1cc2[nH]cc(C(C)C)c2cc1O.Cc1nc2n(C(C)C)c3ccccc3n2n1.

What is the InChIKey of 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole?

The InChIKey is MKJHOOXFVRAPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.3C12H12F3N.C12H14N4.C12H15NO.C11H12ClN.C11H11F2N.C10H12N2O.C10H14O.C9H11F/c1-9(2)12-6-13(17(15-12)10(3)4)14(18)16-7-11(8-16)19-5;1-7(2)10-6-16-11-4-3-8(5-9(10)11)12(13,14)15;1-8(2)16-6-5-9-3-4-10(7-11(9)16)12(13,14)15;1-8(2)16-10-6-4-3-5-9(10)7-11(16)12(13,14)15;1-8(2)15-10-6-4-5-7-11(10)16-12(15)13-9(3)14-16;1-7(2)10-6-13-11-4-8(3)12(14)5-9(10)11;1-8(2)13-6-5-9-7-10(12)3-4-11(9)13;1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14;1-7(2)12-10-5-9(13)4-3-8(10)6-11-12;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-3-5-9(10)6-4-8/h6,9-11H,7-8H2,1-5H3;3-7,16H,1-2H3;2*3-8H,1-2H3;4-8H,1-3H3;4-7,13-14H,1-3H3;3-8H,1-2H3;3-7H,1-2H3;3-7,13H,1-2H3;4-8H,1-3H3;3-7H,1-2H3.

What are the key properties of 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole?

5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole has a molecular weight of 2204.09 g/mol, XLogP of 36.20, 15 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 159592086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).