6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole

C193H239N21O6S5 — CID 160599467

IUPAC6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole
SMILESCC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2nccnc12.CC(C)(C)c1cccc2ncsc12.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccnc2nccnc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1csc2ncccc12.CC(C)(C)c1csc2ncsc12
InChIInChI=1S/C14H16.C12H14N2.2C12H15N.2C12H16O2.C11H13N3.5C11H14N2.3C11H13NS.C11H14O2.C9H11NS2/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-11(2,3)8-4-5-13-10-9(8)12-6-7-14-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)6-4-11-8-7(6)12-5-10-8/h4-10H,1-3H3;4-8H,1-3H3;2*4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-6H,7-8H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3*4-7H,1-3H3;4-6H,7H2,1-3H3;4-5H,1-3H3
InChIKeyREBQSEFIQIRBRY-UHFFFAOYSA-N
MW3109.51 g/mol
LogP52.59
Rot. Bonds

About 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole

6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole (PubChem CID 160599467) has the molecular formula C193H239N21O6S5 and a molecular weight of 3109.51 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole
PubChem CID160599467
Molecular FormulaC193H239N21O6S5
Molecular Weight3109.51 g/mol
Exact Mass3106.76
IUPAC Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole
SMILESCC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2nccnc12.CC(C)(C)c1cccc2ncsc12.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccnc2nccnc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1csc2ncccc12.CC(C)(C)c1csc2ncsc12
InChIInChI=1S/C14H16.C12H14N2.2C12H15N.2C12H16O2.C11H13N3.5C11H14N2.3C11H13NS.C11H14O2.C9H11NS2/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-11(2,3)8-4-5-13-10-9(8)12-6-7-14-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)6-4-11-8-7(6)12-5-10-8/h4-10H,1-3H3;4-8H,1-3H3;2*4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-6H,7-8H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3*4-7H,1-3H3;4-6H,7H2,1-3H3;4-5H,1-3H3
InChIKeyREBQSEFIQIRBRY-UHFFFAOYSA-N
XLogP52.59
TPSA312.23 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003109.51
LogP ≤ 552.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-2-methyl-1,3-benzothiazole;1,2-dimethylbenzimidazole;bis(2,3-dimethylquinoline);fluoromethane;2-methyl-1H-benzimidazole;bis(2-methyl-1,3-benzothiazole);6-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;(4-methylcyclohexyl)benzene;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-1,2-dihydroquinoline;methyl hypochlorite;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methylisoquinoline;6-methylquinoline;2-methyl-6-(trifluoromethoxy)-1,3-benzothiazole;2,5,6-trimethyl-1H-benzimidazole
CID 157907059
5-Tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butylisoquinoline;7-tert-butyl-2-methylindazole;5-tert-butylquinoline;6-tert-butylquinoxaline
CID 169429330
1-[4-(9H-carbazol-1-yl)-6-cinnolin-3-yl-6-(1H-indazol-3-yl)-8a-indolizin-1-yl-7-(1H-indol-2-yl)-8-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-1-(1,5-naphthyridin-2-yl)-2-phenanthridin-1-yl-2-phthalazin-1-yl-5-pteridin-2-yl-5-(7H-purin-2-yl)-3-(9H-pyrido[3,4-b]indol-1-yl)-7-quinazolin-2-yl-3-quinolin-2-yl-4a-(4H-quinolizin-1-yl)-8-quinoxalin-2-ylnaphthalen-1-yl]-6-(1H-imidazol-2-yl)-8-phenoxathiin-1-yl-4-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyrimidin-2-yl-7-(1H-pyrrol-2-yl)acridine
CID 141294656
3aH-benzotriazole;1,3-benzodioxole;1,2,3-benzothiadiazole;2,1,3-benzothiadiazole;1,3-benzothiazole;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-1,4-benzoxazine;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;3H-indole;isoquinoline;heptadecakis(2-methylpropane);quinoline;quinoxaline;1,2,3,4-tetrahydroquinoline
CID 157050923
2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 157096277
1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 157323909
3aH-benzotriazole;1,3-benzodioxole;1,2,3-benzothiadiazole;2,1,3-benzothiadiazole;1,3-benzothiazole;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-1,4-benzoxazine;imidazo[1,2-a]pyridine;isoquinoline;6-methyl-1H-benzimidazole;tridecakis(2-methylpropane);quinoline;1,2,3,4-tetrahydroquinoline
CID 157624453
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;3-tert-butyl-1-methylindole;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 157659133
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butylimidazo[1,2-a]pyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;4-(3-tert-butylphenyl)morpholine;3-(3-tert-butylphenyl)pyridine;5-tert-butyl-1H-pyrazole;4-tert-butylpyridine;5-tert-butyl-2-pyrrolidin-1-ylpyridine;2-tert-butylthiophene;3-tert-butylthiophene
CID 157738295
6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 157759875
1H-benzimidazole;1,3-benzodioxole;2,3-dihydro-1H-indole;1H-indole;methane;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;1,2,3,4-tetrahydroisoquinoline;4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine
CID 157941202
ethane;1-methylbenzimidazole;3-methyl-1H-benzimidazol-2-one;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1-methyl-2,3-dihydro-1H-indene;6-methyl-3,4-dihydro-1H-quinolin-2-one;3-methylimidazo[1,2-a]pyridine;5-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-indole;3-methyl-1H-indole;7-methyl-9H-pyridazino[1,2-a]pyridazin-6-one
CID 157947090

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole (CID 160599467) is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole is CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)OCCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2nccnc12.CC(C)(C)c1cccc2ncsc12.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccnc2nccnc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1csc2ncccc12.CC(C)(C)c1csc2ncsc12.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole?
The InChIKey is REBQSEFIQIRBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C12H14N2.2C12H15N.2C12H16O2.C11H13N3.5C11H14N2.3C11H13NS.C11H14O2.C9H11NS2/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-11(2,3)8-4-5-13-10-9(8)12-6-7-14-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)9-5-4-6-10-8(9)7-12-13-10;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)6-4-11-8-7(6)12-5-10-8/h4-10H,1-3H3;4-8H,1-3H3;2*4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-6H,7-8H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3*4-7H,1-3H3;4-6H,7H2,1-3H3;4-5H,1-3H3.
What are the key properties of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole?
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole has a molecular weight of 3109.51 g/mol, XLogP of 52.59, 0 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;1-tert-butylnaphthalene;3-tert-butylpyrazolo[1,5-a]pyridine;8-tert-butylpyrido[2,3-b]pyrazine;5-tert-butylquinoxaline;3-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[2,3-d][1,3]thiazole is sourced from PubChem (CID 160599467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).