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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[3,2-c]pyridine

C179H211N33O4S2 — CID 158846935

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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[3,2-c]pyridine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccncc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cnccn12.CC(C)c1cnn2cccnc12.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.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/C11H12O.C11H12S.2C10H12N2O.9C10H12N2.C10H11NO.C10H11NS.3C9H11N3/c2*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)8-6-12-10-3-4-11-5-9(8)10;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;1-8(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)8-5-11-9-6-10-3-4-12(8)9;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)12-9-6-4-3-5-8(9)10-11-12/h2*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,13);2*3-8H,1-2H3;3-7,12H,1-2H3;5*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);5*3-7H,1-2H3
InChIKeyIYYLANDDZCNMHK-UHFFFAOYSA-N
MW2953.02 g/mol
LogP47.02
Rot. Bonds18

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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[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-1,2-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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[3,2-c]pyridine (PubChem CID 158846935) has the molecular formula C179H211N33O4S2 and a molecular weight of 2953.02 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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[3,2-c]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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[3,2-c]pyridine
PubChem CID158846935
Molecular FormulaC179H211N33O4S2
Molecular Weight2953.02 g/mol
Exact Mass2950.68
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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[3,2-c]pyridine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccncc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cnccn12.CC(C)c1cnn2cccnc12.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.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/C11H12O.C11H12S.2C10H12N2O.9C10H12N2.C10H11NO.C10H11NS.3C9H11N3/c2*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)8-6-12-10-3-4-11-5-9(8)10;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;1-8(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)8-5-11-9-6-10-3-4-12(8)9;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)12-9-6-4-3-5-8(9)10-11-12/h2*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,13);2*3-8H,1-2H3;3-7,12H,1-2H3;5*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);5*3-7H,1-2H3
InChIKeyIYYLANDDZCNMHK-UHFFFAOYSA-N
XLogP47.02
TPSA400.31 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002953.02
LogP ≤ 547.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[3,2-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
CID 159320113
CID 159320113
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071
1-cyclopentyl-N-[[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 160496884
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161372099
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 161612650
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161651793
1-benzothiophene;2H-benzotriazole;dibenzofuran;dibenzothiophene;furan;methane;naphthalene;1,2,4-oxadiazole;1-phenyltriazole;pyridazine;1H-pyrrolo[3,2-c]pyridine;quinoline;3H-quinolin-4-one;1,3,4-thiadiazole;2H-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162272411
8aH-acridin-9-one;1-benzothiophene;2H-benzotriazole;dibenzofuran;dibenzothiophene;1-(1,1-difluoroethyl)-3-(trifluoromethyl)benzene;3,5-diphenyl-1H-pyrazole;furan;1H-indole;naphthalene;1,2-oxazole;1-phenyltriazole;1H-pyrazole;pyridazine;quinoline;3H-quinolin-4-one;2H-tetrazole;1,2-thiazole;2,2,2-trifluoro-1-phenylethanone
CID 162282430
8aH-acridin-9-one;1-benzothiophene;1,3-bis(trifluoromethyl)benzene;dibenzofuran;dibenzothiophene;3,5-diphenyl-1H-pyrazole;2,4-diphenyl-1,3,5-triazine;isoquinoline;1,8-naphthyridine;1,2,4-oxadiazole;1,3-oxazole;1-phenyltriazole;1H-pyrazolo[4,5-b]pyridine;pyridazine;1H-pyrrolo[3,2-c]pyridine;quinoline;3H-quinolin-4-one;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162300074
8aH-acridin-9-one;1-benzothiophene;2H-benzotriazole;1,3-bis(trifluoromethyl)benzene;dibenzofuran;dibenzothiophene;3,5-diphenyl-1H-pyrazole;2,4-diphenyl-1,3,5-triazine;isoquinoline;1,8-naphthyridine;1,2,4-oxadiazole;1,3-oxazole;1-phenyltetrazole;pyridazine;1H-pyrrolo[3,2-c]pyridine;3H-quinolin-4-one;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162300075

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-1,2-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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[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-1,2-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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[3,2-c]pyridine (CID 158846935) 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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[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-1,2-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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[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-1,2-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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[3,2-c]pyridine is CC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccncc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cnccn12.CC(C)c1cnn2cccnc12.CC(C)c1coc2ccccc12.CC(C)c1csc2ccccc12.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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[3,2-c]pyridine?
The InChIKey is IYYLANDDZCNMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C11H12S.2C10H12N2O.9C10H12N2.C10H11NO.C10H11NS.3C9H11N3/c2*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)8-6-12-10-3-4-11-5-9(8)10;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;1-8(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)8-5-11-9-6-10-3-4-12(8)9;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)12-9-6-4-3-5-8(9)10-11-12/h2*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,13);2*3-8H,1-2H3;3-7,12H,1-2H3;5*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);5*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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[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-1,2-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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[3,2-c]pyridine has a molecular weight of 2953.02 g/mol, XLogP of 47.02, 18 rotatable bonds, 4 hydrogen bond donors, and 35 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;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;1-propan-2-yl-2H-indazol-3-one;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[3,2-c]pyridine is sourced from PubChem (CID 158846935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).