3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole

C188H184Cl5F6N39O8 — CID 158222790

About 3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole

3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole (PubChem CID 158222790) has the molecular formula C188H184Cl5F6N39O8 and a molecular weight of 3412.08 g/mol. Its IUPAC name is 3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole.

Molecular Properties

• Compound Name: 3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole
• PubChem CID: 158222790
• Molecular Formula: C188H184Cl5F6N39O8
• Molecular Weight: 3412.08 g/mol
• Exact Mass: 3407.37
• IUPAC Name: 3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole
• SMILES: C#Cc1cn(C)c2ccccc12.Cc1cn(C)c2ccccc12.Cn1c(=O)[nH]c2ccccc21.Cn1c(=O)n(C)c2ccccc21.Cn1c(=O)n(C)c2ccccc21.Cn1c(=O)n(C)c2cnccc21.Cn1c(=O)n(C)c2cnccc21.Cn1c(=O)n(C)c2ncccc21.Cn1c(=O)n(C)c2ncccc21.Cn1c(=O)n(C2CC2)c2ccccc21.Cn1cc(C#N)c2ccccc21.Cn1cc(C(F)(F)F)c2ccccc21.Cn1cc(C(F)F)c2ccccc21.Cn1cc(Cl)c2ccccc21.Cn1cc(Cl)c2cccnc21.Cn1cc(Cl)c2ccncc21.Cn1cc(Cl)c2cnccc21.Cn1cc(Cl)c2ncccc21.Cn1cc(F)c2ncccc21.Cn1ccc2ccccc21.[2H]C([2H])([2H])c1cn(C)c2ccccc12
• InChI: InChI=1S/C11H12N2O.C11H9N.C10H8F3N.C10H9F2N.C10H8N2.2C10H11N.C9H8ClN.2C9H10N2O.C9H9N.4C8H7ClN2.C8H7FN2.4C8H9N3O.C8H8N2O/c1-12-9-4-2-3-5-10(9)13(11(12)14)8-6-7-8;1-3-9-8-12(2)11-7-5-4-6-10(9)11;1-14-6-8(10(11,12)13)7-4-2-3-5-9(7)14;1-13-6-8(10(11)12)7-4-2-3-5-9(7)13;1-12-7-8(6-11)9-4-2-3-5-10(9)12;2*1-8-7-11(2)10-6-4-3-5-9(8)10;1-11-6-8(10)7-4-2-3-5-9(7)11;2*1-10-7-5-3-4-6-8(7)11(2)9(10)12;1-10-7-6-8-4-2-3-5-9(8)10;1-11-5-7(9)6-4-10-3-2-8(6)11;1-11-5-7(9)6-2-3-10-4-8(6)11;1-11-5-6(9)8-7(11)3-2-4-10-8;1-11-5-7(9)6-3-2-4-10-8(6)11;1-11-5-6(9)8-7(11)3-2-4-10-8;2*1-10-6-3-4-9-5-7(6)11(2)8(10)12;2*1-10-6-4-3-5-9-7(6)11(2)8(10)12;1-10-7-5-3-2-4-6(7)9-8(10)11/h2-5,8H,6-7H2,1H3;1,4-8H,2H3;2-6H,1H3;2-6,10H,1H3;2-5,7H,1H3;2*3-7H,1-2H3;2-6H,1H3;2*3-6H,1-2H3;2-7H,1H3;5*2-5H,1H3;4*3-5H,1-2H3;2-5H,1H3,(H,9,11)/i;;;;;1D3
• InChIKey: GDLFNQGENSUHHC-ZQQVBJPTSA-N
• XLogP: 36.51
• TPSA: 430.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 46
• Rotatable Bonds: 3
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3412.08
LogP ≤ 5	36.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole?

The IUPAC name of 3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole (CID 158222790) is 3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole.

What is the SMILES notation for 3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole?

The canonical SMILES for 3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole is C#Cc1cn(C)c2ccccc12.Cc1cn(C)c2ccccc12.Cn1c(=O)[nH]c2ccccc21.Cn1c(=O)n(C)c2ccccc21.Cn1c(=O)n(C)c2ccccc21.Cn1c(=O)n(C)c2cnccc21.Cn1c(=O)n(C)c2cnccc21.Cn1c(=O)n(C)c2ncccc21.Cn1c(=O)n(C)c2ncccc21.Cn1c(=O)n(C2CC2)c2ccccc21.Cn1cc(C#N)c2ccccc21.Cn1cc(C(F)(F)F)c2ccccc21.Cn1cc(C(F)F)c2ccccc21.Cn1cc(Cl)c2ccccc21.Cn1cc(Cl)c2cccnc21.Cn1cc(Cl)c2ccncc21.Cn1cc(Cl)c2cnccc21.Cn1cc(Cl)c2ncccc21.Cn1cc(F)c2ncccc21.Cn1ccc2ccccc21.[2H]C([2H])([2H])c1cn(C)c2ccccc12.

What is the InChIKey of 3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole?

The InChIKey is GDLFNQGENSUHHC-ZQQVBJPTSA-N. The full InChI is InChI=1S/C11H12N2O.C11H9N.C10H8F3N.C10H9F2N.C10H8N2.2C10H11N.C9H8ClN.2C9H10N2O.C9H9N.4C8H7ClN2.C8H7FN2.4C8H9N3O.C8H8N2O/c1-12-9-4-2-3-5-10(9)13(11(12)14)8-6-7-8;1-3-9-8-12(2)11-7-5-4-6-10(9)11;1-14-6-8(10(11,12)13)7-4-2-3-5-9(7)14;1-13-6-8(10(11)12)7-4-2-3-5-9(7)13;1-12-7-8(6-11)9-4-2-3-5-10(9)12;2*1-8-7-11(2)10-6-4-3-5-9(8)10;1-11-6-8(10)7-4-2-3-5-9(7)11;2*1-10-7-5-3-4-6-8(7)11(2)9(10)12;1-10-7-6-8-4-2-3-5-9(8)10;1-11-5-7(9)6-4-10-3-2-8(6)11;1-11-5-7(9)6-2-3-10-4-8(6)11;1-11-5-6(9)8-7(11)3-2-4-10-8;1-11-5-7(9)6-3-2-4-10-8(6)11;1-11-5-6(9)8-7(11)3-2-4-10-8;2*1-10-6-3-4-9-5-7(6)11(2)8(10)12;2*1-10-6-4-3-5-9-7(6)11(2)8(10)12;1-10-7-5-3-2-4-6(7)9-8(10)11/h2-5,8H,6-7H2,1H3;1,4-8H,2H3;2-6H,1H3;2-6,10H,1H3;2-5,7H,1H3;2*3-7H,1-2H3;2-6H,1H3;2*3-6H,1-2H3;2-7H,1H3;5*2-5H,1H3;4*3-5H,1-2H3;2-5H,1H3,(H,9,11)/i;;;;;1D3;;;;;;;;;;;;;;;.

What are the key properties of 3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole?

3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole has a molecular weight of 3412.08 g/mol, XLogP of 36.51, 3 rotatable bonds, 1 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-1-methylindole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;3-chloro-1-methylpyrrolo[3,2-b]pyridine;3-chloro-1-methylpyrrolo[2,3-c]pyridine;3-chloro-1-methylpyrrolo[3,2-c]pyridine;1-cyclopropyl-3-methylbenzimidazol-2-one;3-(difluoromethyl)-1-methylindole;bis(1,3-dimethylbenzimidazol-2-one);bis(1,3-dimethylimidazo[4,5-b]pyridin-2-one);bis(1,3-dimethylimidazo[4,5-c]pyridin-2-one);1,3-dimethylindole;3-ethynyl-1-methylindole;3-fluoro-1-methylpyrrolo[3,2-b]pyridine;3-methyl-1H-benzimidazol-2-one;1-methylindole;1-methylindole-3-carbonitrile;1-methyl-3-(trideuteriomethyl)indole;1-methyl-3-(trifluoromethyl)indole is sourced from PubChem (CID 158222790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).