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;2-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

C189H269N15O6S — CID 162025650

IUPAC4-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;2-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
SMILESCC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1ccnc(CCC2CCCCC2)c1.CC(C)(C)c1ccnc(CCC2CCCCN2)c1.CC(C)(C)c1ccnc(CCC2CCNCC2)c1.CC(C)(C)c1ccnc(CCC2CNCCO2)c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1csc2ccccc12.CN1CCC(Cc2cccc(C(C)(C)C)c2)CC1.Cn1c(C(C)(C)C)cc2ccccc21
InChIInChI=1S/2C17H27N.2C16H26N2.C15H24N2O.C14H20.C13H17N.C12H14N2.C12H16O2.C12H16O.C12H14S.2C11H14N2.C11H14O2/c1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(4)11-9-14;1-17(2,3)15-11-12-18-16(13-15)10-9-14-7-5-4-6-8-14;1-16(2,3)14-8-11-18-15(12-14)5-4-13-6-9-17-10-7-13;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-15(2,3)12-6-7-17-13(10-12)4-5-14-11-16-8-9-18-14;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;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)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h5-7,13-14H,8-12H2,1-4H3;11-14H,4-10H2,1-3H3;8,11-13,17H,4-7,9-10H2,1-3H3;9,11-12,14,17H,4-8,10H2,1-3H3;6-7,10,14,16H,4-5,8-9,11H2,1-3H3;8-10H,4-7H2,1-3H3;5-9H,1-4H3;4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,7H2,1-3H3
InChIKeyYVIIFVYFPMVUEK-UHFFFAOYSA-N
MW2879.40 g/mol
LogP46.40
Rot. Bonds14

About 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;2-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

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;2-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 (PubChem CID 162025650) has the molecular formula C189H269N15O6S and a molecular weight of 2879.40 g/mol. Its IUPAC name is 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;2-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.

Molecular Properties

Compound Name4-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;2-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
PubChem CID162025650
Molecular FormulaC189H269N15O6S
Molecular Weight2879.40 g/mol
Exact Mass2877.09
IUPAC Name4-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;2-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
SMILESCC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1ccnc(CCC2CCCCC2)c1.CC(C)(C)c1ccnc(CCC2CCCCN2)c1.CC(C)(C)c1ccnc(CCC2CCNCC2)c1.CC(C)(C)c1ccnc(CCC2CNCCO2)c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1csc2ccccc12.CN1CCC(Cc2cccc(C(C)(C)C)c2)CC1.Cn1c(C(C)(C)C)cc2ccccc21
InChIInChI=1S/2C17H27N.2C16H26N2.C15H24N2O.C14H20.C13H17N.C12H14N2.C12H16O2.C12H16O.C12H14S.2C11H14N2.C11H14O2/c1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(4)11-9-14;1-17(2,3)15-11-12-18-16(13-15)10-9-14-7-5-4-6-8-14;1-16(2,3)14-8-11-18-15(12-14)5-4-13-6-9-17-10-7-13;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-15(2,3)12-6-7-17-13(10-12)4-5-14-11-16-8-9-18-14;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;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)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h5-7,13-14H,8-12H2,1-4H3;11-14H,4-10H2,1-3H3;8,11-13,17H,4-7,9-10H2,1-3H3;9,11-12,14,17H,4-8,10H2,1-3H3;6-7,10,14,16H,4-5,8-9,11H2,1-3H3;8-10H,4-7H2,1-3H3;5-9H,1-4H3;4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,7H2,1-3H3
InChIKeyYVIIFVYFPMVUEK-UHFFFAOYSA-N
XLogP46.40
TPSA234.34 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002879.40
LogP ≤ 546.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 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;2-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 with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 157050189
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;bis(3-tert-butyl-1-methylindazole);tris(5-tert-butyl-1,2,3,4-tetrahydroquinoline)
CID 158766104
tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1,4-dimethyl-3-(trifluoromethyl)pyrazole;1,4-dimethyl-5-(trifluoromethyl)pyrazole;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-1,3-benzodioxole;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;3-methyl-1H-indole;6-methyl-1H-isoindole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);bis(1,3,4,5-tetramethylpyrazole);1,3,6-trimethyl-1H-isoindole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;bis(3,4,5-trimethyl-1H-pyrazole);1,3,4-trimethyl-5-(trifluoromethyl)pyrazole
CID 159232164
tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;bis(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole)
CID 161223665
6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-3-fluoro-5-methoxybenzene;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 161420728
2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;5,7-dimethyl-4-propan-2-yl-2,3-dihydro-1H-indene;2-ethyl-3-methyl-4-propan-2-yl-1,7-naphthyridine;2-ethyl-3-methyl-4-propan-2-ylquinoline;3-methoxy-2-methyl-4-propan-2-ylquinoline;6-methoxy-5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-methyl-3-propan-2-yl-1-benzothiophene;6-methyl-5-propan-2-ylquinoline;7-methyl-8-propan-2-ylquinoline;4-propan-2-yl-2,1,3-benzoxadiazole;5-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-3,4-dihydro-1H-isochromene;5-propan-2-ylphthalazine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylquinazoline;2,3,6-trimethyl-4-propan-2-ylquinoline
CID 162096092
tert-butyl 3-ethyl-6-methylindazole-1-carboxylate;2-chloro-4-methylpyridine;3,5-dimethyl-2H-indazole;3,6-dimethyl-1H-isoindole;4,5-dimethyl-1H-pyrazole;2,5-dimethylthiophene;tris(4,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole);3-ethyl-6-methyl-1H-isoindole;2-methoxy-4-methylthiophene;5-methyl-1,3-benzodioxole;1-methylimidazole;6-methyl-1H-indene;5-methyl-1H-indole;5-methyl-2-piperidin-1-ylpyridine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;4-methyl-5-(trifluoromethyl)-1H-pyrazole;1,3,6-trimethylindazole;bis(3,4,5-trimethyl-1H-pyrazole)
CID 164024044
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
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1H-benzimidazole;1,3-benzodioxole;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;6,7-dihydro-5H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[c]pyridine;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;ethane;1H-indazole
CID 157187798
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 157190969
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

Frequently Asked Questions

What is the IUPAC name of 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;2-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?
The IUPAC name of 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;2-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 162025650) is 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;2-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.
What is the SMILES notation for 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;2-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?
The canonical SMILES for 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;2-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 is CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1ccnc(CCC2CCCCC2)c1.CC(C)(C)c1ccnc(CCC2CCCCN2)c1.CC(C)(C)c1ccnc(CCC2CCNCC2)c1.CC(C)(C)c1ccnc(CCC2CNCCO2)c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1csc2ccccc12.CN1CCC(Cc2cccc(C(C)(C)C)c2)CC1.Cn1c(C(C)(C)C)cc2ccccc21.
What is the InChIKey of 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;2-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?
The InChIKey is YVIIFVYFPMVUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H27N.2C16H26N2.C15H24N2O.C14H20.C13H17N.C12H14N2.C12H16O2.C12H16O.C12H14S.2C11H14N2.C11H14O2/c1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(4)11-9-14;1-17(2,3)15-11-12-18-16(13-15)10-9-14-7-5-4-6-8-14;1-16(2,3)14-8-11-18-15(12-14)5-4-13-6-9-17-10-7-13;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-15(2,3)12-6-7-17-13(10-12)4-5-14-11-16-8-9-18-14;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)12-9-10-7-5-6-8-11(10)14(12)4;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;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)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h5-7,13-14H,8-12H2,1-4H3;11-14H,4-10H2,1-3H3;8,11-13,17H,4-7,9-10H2,1-3H3;9,11-12,14,17H,4-8,10H2,1-3H3;6-7,10,14,16H,4-5,8-9,11H2,1-3H3;8-10H,4-7H2,1-3H3;5-9H,1-4H3;4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,7H2,1-3H3.
What are the key properties of 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;2-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?
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;2-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 has a molecular weight of 2879.40 g/mol, XLogP of 46.40, 14 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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;2-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 is sourced from PubChem (CID 162025650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).