cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole

C175H262N28O2S3 — CID 164956187

IUPACcumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2ccncc2[nH]1.CC(C)c1cc2cnccc2[nH]1.CC(C)c1cc2ncccc2[nH]1.CC(C)c1ccccc1.CC(C)c1cn2ccccc2n1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1
InChIInChI=1S/C11H13N.C11H12O.C11H12S.5C10H12N2.C9H12.C5H5N.3C4H4N2.C4H5N.C4H4S.11C4H10.2C3H4N2.C3H3NO.C3H3NS.C2H3N3/c3*1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-6-4-3-5-7-9;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;11*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1/h3-8,12H,1-2H3;2*3-8H,1-2H3;3*3-7,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-8H,1-2H3;1-5H;3*1-4H;1-5H;1-4H;11*4H,1-3H3;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5)
InChIKeyBEWPTVLRNRIXDO-UHFFFAOYSA-N
MW2886.42 g/mol
LogP52.89
Rot. Bonds9

About cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole

cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole (PubChem CID 164956187) has the molecular formula C175H262N28O2S3 and a molecular weight of 2886.42 g/mol. Its IUPAC name is cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole.

Molecular Properties

Compound Namecumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole
PubChem CID164956187
Molecular FormulaC175H262N28O2S3
Molecular Weight2886.42 g/mol
Exact Mass2884.04
IUPAC Namecumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2ccncc2[nH]1.CC(C)c1cc2cnccc2[nH]1.CC(C)c1cc2ncccc2[nH]1.CC(C)c1ccccc1.CC(C)c1cn2ccccc2n1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1
InChIInChI=1S/C11H13N.C11H12O.C11H12S.5C10H12N2.C9H12.C5H5N.3C4H4N2.C4H5N.C4H4S.11C4H10.2C3H4N2.C3H3NO.C3H3NS.C2H3N3/c3*1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-6-4-3-5-7-9;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;11*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1/h3-8,12H,1-2H3;2*3-8H,1-2H3;3*3-7,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-8H,1-2H3;1-5H;3*1-4H;1-5H;1-4H;11*4H,1-3H3;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5)
InChIKeyBEWPTVLRNRIXDO-UHFFFAOYSA-N
XLogP52.89
TPSA404.82 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002886.42
LogP ≤ 552.89
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
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
1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);1-methylpyrrolo[2,3-c]pyridine;1-propylpyrazole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158201797
CID 158268952
CID 158268952
5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;2-tert-butyl-3-chloropyrazolo[1,5-a]pyrimidine;2-tert-butyl-5-chloropyrazolo[1,5-a]pyrimidine;2-tert-butyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine;3-tert-butyl-2-cyclopropylimidazo[1,2-b]pyridazine;2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylimidazo[1,2-a]pyrazine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 158333268
bromomethane;2,5-dimethylfuran;1,4-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;(3R)-3-fluoro-1-methylpyrrolidine;methane;1-methoxybut-2-ene;2-methyl-1-benzofuran;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;1-methylimidazole;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;6-methyl-1H-pyridin-2-one;1-methylpyrrole;2-methyl-1H-pyrrole;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;(3S)-1-methylpyrrolidin-3-ol;(3R)-1-methylpyrrolidin-3-ol;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane;1,2,5-trimethylpyrrole
CID 159045290
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015
2,5-dimethylfuran;1,4-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;(3R)-3-fluoro-1-methylpyrrolidine;(3S)-3-fluoro-1-methylpyrrolidine;1-methoxybut-2-ene;2-methyl-1-benzofuran;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;1-methylimidazole;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;6-methyl-1H-pyridin-2-one;1-methylpyrrole;2-methyl-1H-pyrrole;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;(3S)-1-methylpyrrolidin-3-ol;(3R)-1-methylpyrrolidin-3-ol;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,2,5-trimethylpyrrole
CID 159645627

Frequently Asked Questions

What is the IUPAC name of cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole?
The IUPAC name of cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole (CID 164956187) is cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole.
What is the SMILES notation for cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole?
The canonical SMILES for cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc2ccccc2o1.CC(C)c1cc2ccccc2s1.CC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2ccncc2[nH]1.CC(C)c1cc2cnccc2[nH]1.CC(C)c1cc2ncccc2[nH]1.CC(C)c1ccccc1.CC(C)c1cn2ccccc2n1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.
What is the InChIKey of cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole?
The InChIKey is BEWPTVLRNRIXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C11H12O.C11H12S.5C10H12N2.C9H12.C5H5N.3C4H4N2.C4H5N.C4H4S.11C4H10.2C3H4N2.C3H3NO.C3H3NS.C2H3N3/c3*1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)10-5-8-6-11-4-3-9(8)12-10;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-8(2)9-6-4-3-5-7-9;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;11*1-4(2)3;1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1/h3-8,12H,1-2H3;2*3-8H,1-2H3;3*3-7,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;3-8H,1-2H3;1-5H;3*1-4H;1-5H;1-4H;11*4H,1-3H3;2*1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5).
What are the key properties of cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole?
cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole has a molecular weight of 2886.42 g/mol, XLogP of 52.89, 9 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1H-imidazole;undecakis(2-methylpropane);1,3-oxazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indole;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene;2H-triazole is sourced from PubChem (CID 164956187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).