1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one

C186H233N41O10 — CID 159368556

IUPAC1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2ncccc21.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1CCc2cccnc21.CC(C)N1CCc2cccnc21.CC(C)N1Cc2ccccc2C1.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)[nH]c2ccncc21.CC(C)n1c(=O)[nH]c2ncccc21.CC(C)n1c(=O)[nH]c2ncncc21.CC(C)n1c(=O)oc2ccccc21.CC(C)n1c(=O)oc2ncccc21.CC(C)n1ccc2ccccc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2ccncc21.CC(C)n1cnc2ncccc21.CC(C)n1cnc2ncncc21.CC(C)n1nnc2ccccc21
InChIInChI=1S/C12H17N.C11H13NO.2C11H15N.C11H13N.2C10H12N2O.2C10H14N2.C10H12N2.C10H11NO2.2C9H11N3O.3C9H11N3.C9H10N2O2.C8H10N4O.C8H10N4/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;2*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;2*1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-6(2)12-8-5-10-4-3-7(8)11-9(12)13;1-6(2)12-7-4-3-5-10-8(7)11-9(12)13;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;1-7(2)12-9-6-4-3-5-8(9)10-11-12;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/h3-6,10H,7-9H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,13);2*3-4,6,8H,5,7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-6H,1-2H3,(H,11,13);3-6H,1-2H3,(H,10,11,13);3*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,9,10,11,13);3-6H,1-2H3
InChIKeyLJLCYTKCYHWPMS-UHFFFAOYSA-N
MW3203.19 g/mol
LogP36.64
Rot. Bonds19

About 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one

1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 159368556) has the molecular formula C186H233N41O10 and a molecular weight of 3203.19 g/mol. Its IUPAC name is 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID159368556
Molecular FormulaC186H233N41O10
Molecular Weight3203.19 g/mol
Exact Mass3200.90
IUPAC Name1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2ncccc21.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1CCc2cccnc21.CC(C)N1CCc2cccnc21.CC(C)N1Cc2ccccc2C1.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)[nH]c2ccncc21.CC(C)n1c(=O)[nH]c2ncccc21.CC(C)n1c(=O)[nH]c2ncncc21.CC(C)n1c(=O)oc2ccccc21.CC(C)n1c(=O)oc2ncccc21.CC(C)n1ccc2ccccc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2ccncc21.CC(C)n1cnc2ncccc21.CC(C)n1cnc2ncncc21.CC(C)n1nnc2ccccc21
InChIInChI=1S/C12H17N.C11H13NO.2C11H15N.C11H13N.2C10H12N2O.2C10H14N2.C10H12N2.C10H11NO2.2C9H11N3O.3C9H11N3.C9H10N2O2.C8H10N4O.C8H10N4/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;2*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;2*1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-6(2)12-8-5-10-4-3-7(8)11-9(12)13;1-6(2)12-7-4-3-5-10-8(7)11-9(12)13;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;1-7(2)12-9-6-4-3-5-8(9)10-11-12;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/h3-6,10H,7-9H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,13);2*3-4,6,8H,5,7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-6H,1-2H3,(H,11,13);3-6H,1-2H3,(H,10,11,13);3*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,9,10,11,13);3-6H,1-2H3
InChIKeyLJLCYTKCYHWPMS-UHFFFAOYSA-N
XLogP36.64
TPSA539.86 Ų
H-Bond Donors4
H-Bond Acceptors45
Rotatable Bonds19
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003203.19
LogP ≤ 536.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1045

Analyze 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;methane;2-methoxypyridine
CID 157831674
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine
CID 159048454
CID 160978423
CID 160978423
CID 160996286
CID 160996286
4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one
CID 161415289
5-[8-(4-acetylpiperazin-1-yl)-2-benzyl-5-methylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one;5-[8-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one;6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzoxazol-2-one
CID 122656021
1-methyl-3a,7a-dihydro-3H-indol-2-one;3-methyl-1,3-benzoxazol-2-one;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3,4-dihydroquinolin-2-one;1-methylimidazo[1,5-a]pyridine;1-methylisoquinoline;1-methylnaphthalene;2-methylpyridine;1-methylquinolin-2-one
CID 157129003
3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one
CID 157131307
N-[1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide;N-[1-[(6-methoxy-2-pyridinyl)methyl]-3-methylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide;2-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-(pyridin-3-ylmethyl)indazol-4-yl]ethanone
CID 157148773
methane;1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-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;3-propan-2-yl-[1,3]oxazolo[4,5-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
CID 157376062
5-[[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]amino]-20-oxa-2,4,6,10,17-pentazapentacyclo[15.6.2.02,10.03,8.021,25]pentacosa-1(24),3,5,7,12,21(25),22-heptaene-9,18-dione;5-[(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-yl)amino]-20-oxa-2,4,6,10,17-pentazapentacyclo[15.6.2.02,10.03,8.021,25]pentacosa-1(24),3,5,7,12,21(25),22-heptaene-9,18-dione;5-[[1-(1-methylpiperidin-4-yl)benzimidazol-5-yl]amino]-20-oxa-2,4,6,10,17-pentazapentacyclo[15.6.2.02,10.03,8.021,25]pentacosa-1(24),3,5,7,12,21(25),22-heptaene-9,18-dione
CID 157396775
CID 157401521
CID 157401521

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one (CID 159368556) is 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one is CC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2ncccc21.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1CCc2cccnc21.CC(C)N1CCc2cccnc21.CC(C)N1Cc2ccccc2C1.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)[nH]c2ccncc21.CC(C)n1c(=O)[nH]c2ncccc21.CC(C)n1c(=O)[nH]c2ncncc21.CC(C)n1c(=O)oc2ccccc21.CC(C)n1c(=O)oc2ncccc21.CC(C)n1ccc2ccccc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2ccncc21.CC(C)n1cnc2ncccc21.CC(C)n1cnc2ncncc21.CC(C)n1nnc2ccccc21.
What is the InChIKey of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is LJLCYTKCYHWPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C11H13NO.2C11H15N.C11H13N.2C10H12N2O.2C10H14N2.C10H12N2.C10H11NO2.2C9H11N3O.3C9H11N3.C9H10N2O2.C8H10N4O.C8H10N4/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;2*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;2*1-8(2)12-7-5-9-4-3-6-11-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-6(2)12-8-5-10-4-3-7(8)11-9(12)13;1-6(2)12-7-4-3-5-10-8(7)11-9(12)13;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;1-7(2)12-9-6-4-3-5-8(9)10-11-12;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/h3-6,10H,7-9H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,11,13);2*3-4,6,8H,5,7H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-6H,1-2H3,(H,11,13);3-6H,1-2H3,(H,10,11,13);3*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,9,10,11,13);3-6H,1-2H3.
What are the key properties of 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 3203.19 g/mol, XLogP of 36.64, 19 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;3-propan-2-yl-1,3-benzoxazol-2-one;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine);1-propan-2-ylimidazo[4,5-b]pyridine;1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-propan-2-ylimidazo[4,5-c]pyridine;3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one;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-yl-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 159368556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).