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-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

C152H182N38O10 — CID 159565908

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-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
SMILESCC(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)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.C10H11NO2.2C9H11N3O.3C9H11N3.C9H10N2O2.C8H10N4O.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;1-6(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;1-7(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/h3-6,8H,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;3-6H,1-2H3,(H,10,11,13);3-6H,1-2H3,(H,11,13);3*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,9,10,11,13);3-6H,1-2H3
InChIKeyMHEPMHHQZDCMOZ-UHFFFAOYSA-N
MW2701.38 g/mol
LogP30.85
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-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-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-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 (PubChem CID 159565908) has the molecular formula C152H182N38O10 and a molecular weight of 2701.38 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-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.

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-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
PubChem CID159565908
Molecular FormulaC152H182N38O10
Molecular Weight2701.38 g/mol
Exact Mass2699.49
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-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
SMILESCC(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)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.C10H11NO2.2C9H11N3O.3C9H11N3.C9H10N2O2.C8H10N4O.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;1-6(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;1-7(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/h3-6,8H,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;3-6H,1-2H3,(H,10,11,13);3-6H,1-2H3,(H,11,13);3*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,9,10,11,13);3-6H,1-2H3
InChIKeyMHEPMHHQZDCMOZ-UHFFFAOYSA-N
XLogP30.85
TPSA533.52 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds16
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002701.38
LogP ≤ 530.85
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-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 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
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
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
butyl 2-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate;N-[6-[[1-(5-chloropyrimidin-4-yl)indol-2-yl]oxymethyl]-2-pyridinyl]-2,2-difluoro-2-phenoxyacetamide;2-fluoro-N-[6-[[1-(3-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxypropanamide;1-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-3-phenoxypropan-2-one;2-(4-methylphenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
CID 162029389
N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167107304
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
(8S,11S)-10-[1-(4-fluoro-2-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-13,18-dimethyl-5,7,10,13,17,19,26-heptazapentacyclo[15.6.1.12,6.18,11.020,24]hexacosa-1(24),2(26),3,5,18,20,22-heptaen-12-one
CID 172399173
(8S,11S)-13-ethyl-10-[1-(4-fluoro-2-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-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 172399236
(6S)-17-fluoro-25-[(8S,11S,15R)-22-fluoro-15-methoxy-13,18-dimethyl-12-oxo-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-10-yl]-14-oxa-2,8,21,22,26,27-hexazahexacyclo[19.5.2.02,6.08,12.015,20.024,28]octacosa-1(27),15(20),16,18,22,24(28),25-heptaen-7-one
CID 176142257
(8S,11S,15R)-22-fluoro-10-[(6R,7S)-15-fluoro-5,12-dioxa-2,9,19,20,24,25-hexazahexacyclo[17.5.2.16,9.02,7.013,18.022,26]heptacosa-1(25),13(18),14,16,20,22(26),23-heptaen-23-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 176142261

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-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?
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-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 (CID 159565908) 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-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.
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-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?
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-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 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)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-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?
The InChIKey is MHEPMHHQZDCMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C11H13N.2C10H12N2O.3C10H12N2.C10H11NO2.2C9H11N3O.3C9H11N3.C9H10N2O2.C8H10N4O.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;1-6(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;1-7(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/h3-6,8H,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;3-6H,1-2H3,(H,10,11,13);3-6H,1-2H3,(H,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-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-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-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 has a molecular weight of 2701.38 g/mol, XLogP of 30.85, 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-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 is sourced from PubChem (CID 159565908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).