1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine

C207H249N31O2S — CID 162246574

About 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine

1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine (PubChem CID 162246574) has the molecular formula C207H249N31O2S and a molecular weight of 3235.55 g/mol. Its IUPAC name is 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine.

Molecular Properties

• Compound Name: 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine
• PubChem CID: 162246574
• Molecular Formula: C207H249N31O2S
• Molecular Weight: 3235.55 g/mol
• Exact Mass: 3233.01
• IUPAC Name: 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine
• SMILES: CC(C)N1CCc2ccccc21.CC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cn[nH]c12.CC(C)c1cnc2ccccn12.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2cccnc21.CC(C)n1ccc2ccncc21.CC(C)n1ccc2cnccc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21
• InChI: InChI=1S/C11H15N.2C11H13N.C11H15N.2C11H13N.C11H12O.C11H12S.C10H12N2O.10C10H12N2.C9H11N3/c2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;3*1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)12-9-6-4-3-5-8(9)11-10(12)13;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-8(2)12-6-4-9-3-5-11-7-10(9)12;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)12-9-6-4-3-5-8(9)10-11-12/h3-5,8,12H,6-7H2,1-2H3;2*3-8,12H,1-2H3;3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,13);4*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3
• InChIKey: ZXKKZEBDORQAQQ-UHFFFAOYSA-N
• XLogP: 56.06
• TPSA: 359.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3235.55
LogP ≤ 5	56.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine?

The IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine (CID 162246574) is 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine.

What is the SMILES notation for 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine?

The canonical SMILES for 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine is CC(C)N1CCc2ccccc21.CC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2cc[nH]c12.CC(C)c1cccc2cn[nH]c12.CC(C)c1cnc2ccccn12.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2cccnc21.CC(C)n1ccc2ccncc21.CC(C)n1ccc2cnccc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21.

What is the InChIKey of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine?

The InChIKey is ZXKKZEBDORQAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.2C11H13N.C11H15N.2C11H13N.C11H12O.C11H12S.C10H12N2O.10C10H12N2.C9H11N3/c2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;3*1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)12-9-6-4-3-5-8(9)11-10(12)13;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-8(2)12-6-4-9-3-5-11-7-10(9)12;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)12-9-6-4-3-5-8(9)10-11-12/h3-5,8,12H,6-7H2,1-2H3;2*3-8,12H,1-2H3;3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;3-8,12H,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,13);4*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3.

What are the key properties of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine?

1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine has a molecular weight of 3235.55 g/mol, XLogP of 56.06, 20 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 162246574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).