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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one

C152H188N38O7 — CID 160803020

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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2ncccc21.CC(C)N1CNc2cccnc21.CC(C)N1CNc2ncccc21.CC(C)N1CNc2ncncc21.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)oc2ccccc21.CC(C)n1c(=O)oc2ncccc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2ccncc21.CC(C)n1cnc2ncccc21.CC(C)n1cnc2ncncc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21
InChIInChI=1S/C11H13NO.C11H13N.2C10H12N2O.3C10H12N2.C10H11NO2.C9H11N3.C9H13N3.C9H11N3.C9H13N3.C9H11N3.C9H10N2O2.C8H12N4.C8H10N4/c1-8(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;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-7(2)12-6-11-8-3-4-10-5-9(8)12;2*1-7(2)12-6-11-9-8(12)4-3-5-10-9;1-7(2)12-6-11-8-4-3-5-10-9(8)12;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;2*1-6(2)12-5-11-8-7(12)3-9-4-10-8/h3-6,8H,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;3-7H,1-2H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3,(H,10,11);3-7H,1-2H3;3-5,7,11H,6H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-4,6H,5H2,1-2H3,(H,9,10,11);3-6H,1-2H3
InChIKeySDIGIQBVEFTFQT-UHFFFAOYSA-N
MW2659.43 g/mol
LogP31.97
Rot. Bonds16

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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 160803020) has the molecular formula C152H188N38O7 and a molecular weight of 2659.43 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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID160803020
Molecular FormulaC152H188N38O7
Molecular Weight2659.43 g/mol
Exact Mass2657.55
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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCC(C)N1C(=O)Cc2ccccc21.CC(C)N1C(=O)Cc2ncccc21.CC(C)N1CNc2cccnc21.CC(C)N1CNc2ncccc21.CC(C)N1CNc2ncncc21.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)oc2ccccc21.CC(C)n1c(=O)oc2ncccc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2ccncc21.CC(C)n1cnc2ncccc21.CC(C)n1cnc2ncncc21.CC(C)n1ncc2ccccc21.CC(C)n1nnc2ccccc21
InChIInChI=1S/C11H13NO.C11H13N.2C10H12N2O.3C10H12N2.C10H11NO2.C9H11N3.C9H13N3.C9H11N3.C9H13N3.C9H11N3.C9H10N2O2.C8H12N4.C8H10N4/c1-8(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;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-7(2)12-6-11-8-3-4-10-5-9(8)12;2*1-7(2)12-6-11-9-8(12)4-3-5-10-9;1-7(2)12-6-11-8-4-3-5-10-9(8)12;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;2*1-6(2)12-5-11-8-7(12)3-9-4-10-8/h3-6,8H,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;3-7H,1-2H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3,(H,10,11);3-7H,1-2H3;3-5,7,11H,6H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-4,6H,5H2,1-2H3,(H,9,10,11);3-6H,1-2H3
InChIKeySDIGIQBVEFTFQT-UHFFFAOYSA-N
XLogP31.97
TPSA465.96 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds16
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002659.43
LogP ≤ 531.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one with MolForge

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Related Compounds

2-[2-(difluoromethoxy)-3-pyridinyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;7-[[4-(1,4-dimethylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(1-methylindol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157121825
N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate
CID 159291145
2-bromopyrimidine;tert-butyl (6S)-3-(4-amino-2-oxopyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-(methylamino)-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-[4-[methyl(pyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;4-[methyl(pyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one;methyl trifluoromethanesulfonate;phenyl N-(3,4,5-trifluorophenyl)carbamate
CID 160383481
4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 160894325
CID 160978423
CID 160978423
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
6-(2-methoxybenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine;[(1S)-1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethyl] acetate
CID 161675130
3-[7-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethylamino]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 167435751
2-[2-(difluoromethoxy)-3-pyridinyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;7-[[4-(1,4-dimethylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1-methylindol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167700180
3-[7-[2-[4-[6-[6-[2-(3-Fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethylamino]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 169777492
(8S,11S,15R)-22-fluoro-10-[1-(4-fluoro-2-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-15-methoxy-5,13,18-trimethyl-7,10,13,17,19,26-hexazapentacyclo[15.6.1.12,6.18,11.020,24]hexacosa-1(24),2(26),3,5,18,20,22-heptaen-12-one
CID 172399161
(8S,11S,15R)-22-fluoro-10-[1-(4-fluoro-2-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-15-methoxy-13,18-dimethyl-7,10,13,17,19,26-hexazapentacyclo[15.6.1.12,6.18,11.020,24]hexacosa-1(24),2(26),3,5,18,20,22-heptaen-12-one
CID 172399165

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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one (CID 160803020) 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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;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)N1CNc2cccnc21.CC(C)N1CNc2ncccc21.CC(C)N1CNc2ncncc21.CC(C)n1c(=O)[nH]c2ccccc21.CC(C)n1c(=O)oc2ccccc21.CC(C)n1c(=O)oc2ncccc21.CC(C)n1ccc2ccccc21.CC(C)n1ccc2ncccc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2ccncc21.CC(C)n1cnc2ncccc21.CC(C)n1cnc2ncncc21.CC(C)n1ncc2ccccc21.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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is SDIGIQBVEFTFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C11H13N.2C10H12N2O.3C10H12N2.C10H11NO2.C9H11N3.C9H13N3.C9H11N3.C9H13N3.C9H11N3.C9H10N2O2.C8H12N4.C8H10N4/c1-8(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;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-7(2)12-6-11-8-3-4-10-5-9(8)12;2*1-7(2)12-6-11-9-8(12)4-3-5-10-9;1-7(2)12-6-11-8-4-3-5-10-9(8)12;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;2*1-6(2)12-5-11-8-7(12)3-9-4-10-8/h3-6,8H,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;3-7H,1-2H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3,(H,10,11);3-7H,1-2H3;3-5,7,11H,6H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;3-4,6H,5H2,1-2H3,(H,9,10,11);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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 2659.43 g/mol, XLogP of 31.97, 16 rotatable bonds, 4 hydrogen bond donors, and 42 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-dihydroimidazo[4,5-b]pyridine;3-propan-2-yl-1,2-dihydroimidazo[4,5-b]pyridine;7-propan-2-yl-8,9-dihydropurine;1-propan-2-ylimidazo[4,5-b]pyridine;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;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-yl-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 160803020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).