1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine

C174H204N42O13S — CID 159574483

About 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine

1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine (PubChem CID 159574483) has the molecular formula C174H204N42O13S and a molecular weight of 3123.89 g/mol. Its IUPAC name is 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine.

Molecular Properties

• Compound Name: 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine
• PubChem CID: 159574483
• Molecular Formula: C174H204N42O13S
• Molecular Weight: 3123.89 g/mol
• Exact Mass: 3121.63
• IUPAC Name: 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine
• SMILES: CC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2ncccc21.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)[nH]c2cccnc21.CC(C)n1c(=O)[nH]c2ncccc21.CC(C)n1c(=O)[nH]c2ncncc21.CC(C)n1c(=O)oc2c3ccccc3ccc21.CC(C)n1c(=O)oc2ccccc21.CC(C)n1c(=O)oc2ncccc21.CC(C)n1c(=O)sc2ccccc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2ccncc21.CC(C)n1cnc2ncccc21.CC(C)n1cnc2ncncc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ncncc21
• InChI: InChI=1S/C14H13NO2.C11H13NO.C11H13N.2C10H12N2O.3C10H12N2.C10H11NO2.C10H11NOS.2C9H11N3O.2C9H11N3.C9H10N2O2.C8H10N4O.C8H10N4.C7H9N5/c1-9(2)15-12-8-7-10-5-3-4-6-11(10)13(12)17-14(15)16;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9-6-4-3-5-8(9)11-10(12)13;1-8(2)12-7-5-9-10(12)4-3-6-11-9;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;2*1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-6(2)12-7-4-3-5-10-8(7)11-9(12)13;1-6(2)12-8-7(11-9(12)13)4-3-5-10-8;1-7(2)12-6-11-8-3-4-10-5-9(8)12;1-7(2)12-6-11-9-8(12)4-3-5-10-9;1-6(2)11-7-4-3-5-10-8(7)13-9(11)12;1-5(2)12-6-3-9-4-10-7(6)11-8(12)13;1-6(2)12-5-11-8-7(12)3-9-4-10-8;1-5(2)12-6-3-8-4-9-7(6)10-11-12/h3-9H,1-2H3;3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,13);3*3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,13);3-6H,1-2H3,(H,11,13);2*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,9,10,11,13);3-6H,1-2H3;3-5H,1-2H3
• InChIKey: MIFNZUFUINLQEL-UHFFFAOYSA-N
• XLogP: 35.61
• TPSA: 616.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 50
• Rotatable Bonds: 18
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3123.89
LogP ≤ 5	35.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine?

The IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine (CID 159574483) is 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine.

What is the SMILES notation for 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine?

The canonical SMILES for 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine is CC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2ncccc21.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)[nH]c2cccnc21.CC(C)n1c(=O)[nH]c2ncccc21.CC(C)n1c(=O)[nH]c2ncncc21.CC(C)n1c(=O)oc2c3ccccc3ccc21.CC(C)n1c(=O)oc2ccccc21.CC(C)n1c(=O)oc2ncccc21.CC(C)n1c(=O)sc2ccccc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2ccncc21.CC(C)n1cnc2ncccc21.CC(C)n1cnc2ncncc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ncncc21.

What is the InChIKey of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine?

The InChIKey is MIFNZUFUINLQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2.C11H13NO.C11H13N.2C10H12N2O.3C10H12N2.C10H11NO2.C10H11NOS.2C9H11N3O.2C9H11N3.C9H10N2O2.C8H10N4O.C8H10N4.C7H9N5/c1-9(2)15-12-8-7-10-5-3-4-6-11(10)13(12)17-14(15)16;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)12-9-4-3-5-11-8(9)6-10(12)13;1-7(2)12-9-6-4-3-5-8(9)11-10(12)13;1-8(2)12-7-5-9-10(12)4-3-6-11-9;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;2*1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-6(2)12-7-4-3-5-10-8(7)11-9(12)13;1-6(2)12-8-7(11-9(12)13)4-3-5-10-8;1-7(2)12-6-11-8-3-4-10-5-9(8)12;1-7(2)12-6-11-9-8(12)4-3-5-10-9;1-6(2)11-7-4-3-5-10-8(7)13-9(11)12;1-5(2)12-6-3-9-4-10-7(6)11-8(12)13;1-6(2)12-5-11-8-7(12)3-9-4-10-8;1-5(2)12-6-3-8-4-9-7(6)10-11-12/h3-9H,1-2H3;3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,13);3*3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,13);3-6H,1-2H3,(H,11,13);2*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,9,10,11,13);3-6H,1-2H3;3-5H,1-2H3.

What are the key properties of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine?

1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine has a molecular weight of 3123.89 g/mol, XLogP of 35.61, 18 rotatable bonds, 4 hydrogen bond donors, and 50 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-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;1-propan-2-ylindazole;1-propan-2-ylindole;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-[1,3]oxazolo[5,4-b]pyridin-2-one;7-propan-2-ylpurine;7-propan-2-yl-9H-purin-8-one;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one;1-propan-2-yltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 159574483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).