1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C304H357N55O5S2 — CID 159695429

IUPAC1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)N1C(=O)Cc2ccccc21.CC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccncc12.CC(C)c1c[nH]c2cnccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2nccn12.CC(C)c1cccc2nncn12.CC(C)c1cccn2ccnc12.CC(C)c1cccn2cncc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cnccn12.CC(C)c1cncc2[nH]ccc12.CC(C)c1cncc2nccn12.CC(C)c1cnn2cccnc12.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.CC(C)c1nccc2[nH]ccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.CC(C)n1[nH]c(=O)c2ccccc21.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1ccc2cccnc21.CC(C)n1ccc2ccncc21.CC(C)n1ccc2cnccc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21
InChIInChI=1S/3C12H13N.C11H13NO.C11H12O.C11H12S.2C10H12N2O.15C10H12N2.C10H11NO.C10H11NS.5C9H11N3/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;2*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;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12;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;1-7(2)10-8-3-5-11-9(8)4-6-12-10;1-7(2)8-6-12-10-3-4-11-5-9(8)10;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)9-5-12-10-6-11-4-3-8(9)10;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)9-4-3-6-12-7-5-11-10(9)12;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)9-4-3-5-12-7-11-6-10(9)12;1-8(2)9-4-3-5-10-11-6-7-12(9)10;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;2*1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)8-5-10-6-9-11-3-4-12(8)9;1-7(2)8-5-11-9-6-10-3-4-12(8)9;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)8-4-3-5-9-11-10-6-12(8)9;1-7(2)12-9-6-4-3-5-8(9)10-11-12/h3*3-9H,1-2H3;3-6,8H,7H2,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,13);2*3-8H,1-2H3;3-7,11H,1-2H3;3*3-7,12H,1-2H3;8*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);7*3-7H,1-2H3
InChIKeyMWYFNOWQQVGVCY-UHFFFAOYSA-N
MW4925.71 g/mol
LogP78.22
Rot. Bonds30

About 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 159695429) has the molecular formula C304H357N55O5S2 and a molecular weight of 4925.71 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-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID159695429
Molecular FormulaC304H357N55O5S2
Molecular Weight4925.71 g/mol
Exact Mass4921.88
IUPAC Name1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)N1C(=O)Cc2ccccc21.CC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccncc12.CC(C)c1c[nH]c2cnccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2nccn12.CC(C)c1cccc2nncn12.CC(C)c1cccn2ccnc12.CC(C)c1cccn2cncc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cnccn12.CC(C)c1cncc2[nH]ccc12.CC(C)c1cncc2nccn12.CC(C)c1cnn2cccnc12.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.CC(C)c1nccc2[nH]ccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.CC(C)n1[nH]c(=O)c2ccccc21.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1ccc2cccnc21.CC(C)n1ccc2ccncc21.CC(C)n1ccc2cnccc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21
InChIInChI=1S/3C12H13N.C11H13NO.C11H12O.C11H12S.2C10H12N2O.15C10H12N2.C10H11NO.C10H11NS.5C9H11N3/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;2*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;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12;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;1-7(2)10-8-3-5-11-9(8)4-6-12-10;1-7(2)8-6-12-10-3-4-11-5-9(8)10;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)9-5-12-10-6-11-4-3-8(9)10;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)9-4-3-6-12-7-5-11-10(9)12;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)9-4-3-5-12-7-11-6-10(9)12;1-8(2)9-4-3-5-10-11-6-7-12(9)10;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;2*1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)8-5-10-6-9-11-3-4-12(8)9;1-7(2)8-5-11-9-6-10-3-4-12(8)9;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)8-4-3-5-9-11-10-6-12(8)9;1-7(2)12-9-6-4-3-5-8(9)10-11-12/h3*3-9H,1-2H3;3-6,8H,7H2,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,13);2*3-8H,1-2H3;3-7,11H,1-2H3;3*3-7,12H,1-2H3;8*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);7*3-7H,1-2H3
InChIKeyMWYFNOWQQVGVCY-UHFFFAOYSA-N
XLogP78.22
TPSA657.61 Ų
H-Bond Donors7
H-Bond Acceptors54
Rotatable Bonds30
Heavy Atoms366
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004925.71
LogP ≤ 578.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1054

Analyze 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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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-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]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-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 159695429) is 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]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-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]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-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)N1C(=O)Cc2ccccc21.CC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccncc12.CC(C)c1c[nH]c2cnccc12.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2nccn12.CC(C)c1cccc2nncn12.CC(C)c1cccn2ccnc12.CC(C)c1cccn2cncc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cnccn12.CC(C)c1cncc2[nH]ccc12.CC(C)c1cncc2nccn12.CC(C)c1cnn2cccnc12.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.CC(C)c1nccc2[nH]ccc12.CC(C)c1noc2ccccc12.CC(C)c1nsc2ccccc12.CC(C)n1[nH]c(=O)c2ccccc21.CC(C)n1c(=O)[nH]c2ccccc21.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-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MWYFNOWQQVGVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H13N.C11H13NO.C11H12O.C11H12S.2C10H12N2O.15C10H12N2.C10H11NO.C10H11NS.5C9H11N3/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;2*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;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12;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;1-7(2)10-8-3-5-11-9(8)4-6-12-10;1-7(2)8-6-12-10-3-4-11-5-9(8)10;1-7(2)9-5-11-6-10-8(9)3-4-12-10;1-7(2)9-5-12-10-6-11-4-3-8(9)10;1-8(2)12-7-5-9-10(12)4-3-6-11-9;1-8(2)9-4-3-6-12-7-5-11-10(9)12;1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)9-4-3-5-12-7-11-6-10(9)12;1-8(2)9-4-3-5-10-11-6-7-12(9)10;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;2*1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)8-5-10-6-9-11-3-4-12(8)9;1-7(2)8-5-11-9-6-10-3-4-12(8)9;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)8-4-3-5-9-11-10-6-12(8)9;1-7(2)12-9-6-4-3-5-8(9)10-11-12/h3*3-9H,1-2H3;3-6,8H,7H2,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,13);2*3-8H,1-2H3;3-7,11H,1-2H3;3*3-7,12H,1-2H3;8*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);7*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-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 4925.71 g/mol, XLogP of 78.22, 30 rotatable bonds, 7 hydrogen bond donors, and 54 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-1,2-benzothiazole;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;1-propan-2-yl-3H-indol-2-one;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;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;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;8-propan-2-ylquinoline;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 159695429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).