5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

C211H256Cl3F5N28O2S2 — CID 157226181

IUPAC5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1c(C2CC2)nc2cccnn12.CC(C)(C)c1cc2nc(C3CC3)cc(C(F)F)n2n1.CC(C)(C)c1cc2nccc(C3CC3)n2n1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2cc(Cl)ccc2n1.CC(C)(C)c1ccc2cc(F)ccc2n1.CC(C)(C)c1ccc2cccc(Cl)c2n1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2sccc2c1.CC(C)(C)c1ccc2scnc2c1.Cc1cc(C(F)F)n2nc(C(C)(C)C)cc2n1.Cc1cc(C)n2nc(C)c(C(C)(C)C)c2n1.Cc1ccc2nc(Cl)c(C(C)(C)C)cc2c1.Cc1nn2cccnc2c1C(C)(C)C
InChIInChI=1S/C14H16ClN.C14H17F2N3.2C13H14ClN.C13H14FN.2C13H17N3.C13H19N3.C13H15N.C12H15F2N3.C12H15N.C12H14O.C12H14S.C11H15N3.C11H14N2.C11H13NO.C11H13NS/c1-9-5-6-12-10(7-9)8-11(13(15)16-12)14(2,3)4;1-14(2,3)11-7-12-17-9(8-4-5-8)6-10(13(15)16)19(12)18-11;1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)15-12;1-13(2,3)11-8-7-9-5-4-6-10(14)12(9)15-11;1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)15-12;1-13(2,3)11-8-12-14-7-6-10(9-4-5-9)16(12)15-11;1-13(2,3)12-11(9-6-7-9)15-10-5-4-8-14-16(10)12;1-8-7-9(2)16-12(14-8)11(10(3)15-16)13(4,5)6;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-7-5-8(11(13)14)17-10(15-7)6-9(16-17)12(2,3)4;3*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-8-9(11(2,3)4)10-12-6-5-7-14(10)13-8;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10/h5-8H,1-4H3;6-8,13H,4-5H2,1-3H3;3*4-8H,1-3H3;6-9H,4-5H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;7H,1-6H3;4-9H,1-3H3;5-6,11H,1-4H3;4-8,13H,1-3H3;2*4-8H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyATOGBLZMNFLDTC-UHFFFAOYSA-N
MW3482.05 g/mol
LogP59.02
Rot. Bonds5

About 5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 157226181) has the molecular formula C211H256Cl3F5N28O2S2 and a molecular weight of 3482.05 g/mol. Its IUPAC name is 5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
PubChem CID157226181
Molecular FormulaC211H256Cl3F5N28O2S2
Molecular Weight3482.05 g/mol
Exact Mass3477.92
IUPAC Name5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1c(C2CC2)nc2cccnn12.CC(C)(C)c1cc2nc(C3CC3)cc(C(F)F)n2n1.CC(C)(C)c1cc2nccc(C3CC3)n2n1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2cc(Cl)ccc2n1.CC(C)(C)c1ccc2cc(F)ccc2n1.CC(C)(C)c1ccc2cccc(Cl)c2n1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2sccc2c1.CC(C)(C)c1ccc2scnc2c1.Cc1cc(C(F)F)n2nc(C(C)(C)C)cc2n1.Cc1cc(C)n2nc(C)c(C(C)(C)C)c2n1.Cc1ccc2nc(Cl)c(C(C)(C)C)cc2c1.Cc1nn2cccnc2c1C(C)(C)C
InChIInChI=1S/C14H16ClN.C14H17F2N3.2C13H14ClN.C13H14FN.2C13H17N3.C13H19N3.C13H15N.C12H15F2N3.C12H15N.C12H14O.C12H14S.C11H15N3.C11H14N2.C11H13NO.C11H13NS/c1-9-5-6-12-10(7-9)8-11(13(15)16-12)14(2,3)4;1-14(2,3)11-7-12-17-9(8-4-5-8)6-10(13(15)16)19(12)18-11;1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)15-12;1-13(2,3)11-8-7-9-5-4-6-10(14)12(9)15-11;1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)15-12;1-13(2,3)11-8-12-14-7-6-10(9-4-5-9)16(12)15-11;1-13(2,3)12-11(9-6-7-9)15-10-5-4-8-14-16(10)12;1-8-7-9(2)16-12(14-8)11(10(3)15-16)13(4,5)6;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-7-5-8(11(13)14)17-10(15-7)6-9(16-17)12(2,3)4;3*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-8-9(11(2,3)4)10-12-6-5-7-14(10)13-8;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10/h5-8H,1-4H3;6-8,13H,4-5H2,1-3H3;3*4-8H,1-3H3;6-9H,4-5H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;7H,1-6H3;4-9H,1-3H3;5-6,11H,1-4H3;4-8,13H,1-3H3;2*4-8H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyATOGBLZMNFLDTC-UHFFFAOYSA-N
XLogP59.02
TPSA330.74 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds5
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003482.05
LogP ≤ 559.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

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
1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1H-imidazo[4,5-b]pyridine;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159079495
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
1-Fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-phenyl-2-propan-2-ylbenzimidazole;4-phenyl-2-propan-2-ylquinoline;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-ylfuran;1-propan-2-ylisoquinoline;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 160856179
bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine
CID 162093117
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;6-tert-butylquinoline;5-tert-butyl-4H-triazole;2-(2,2-dimethylpropyl)pyridine;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165077137
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;3-tert-butylquinoline;6-tert-butylquinoline;2,4-dimethylpentane;2-(2,2-dimethylpropyl)pyridine;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-4H-triazole;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide;2,2,3-trimethylbutane;N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165109275
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;cinnoline;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;2,3-dihydro-1H-indazole;2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane;1H-imidazo[4,5-b]pyridine;1H-indazole;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydrobenzo[g]quinoline;1,2,3,4-tetrahydrocinnoline;1,2,3,4-tetrahydroquinazoline;bis(1,2,3,4-tetrahydroquinoline)
CID 157055905
1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 157069338
bis(6-tert-butyl-1H-benzimidazole);bis(5-tert-butyl-1-benzofuran);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;5-tert-butylfuro[3,2-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indene;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157132695
bis(6-tert-butyl-1H-benzimidazole);bis(5-tert-butyl-1-benzofuran);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyrimidine;5-tert-butyl-2H-indene;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157309593
methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 157445870

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (CID 157226181) is 5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is CC(C)(C)c1c(C2CC2)nc2cccnn12.CC(C)(C)c1cc2nc(C3CC3)cc(C(F)F)n2n1.CC(C)(C)c1cc2nccc(C3CC3)n2n1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2cc(Cl)ccc2n1.CC(C)(C)c1ccc2cc(F)ccc2n1.CC(C)(C)c1ccc2cccc(Cl)c2n1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2sccc2c1.CC(C)(C)c1ccc2scnc2c1.Cc1cc(C(F)F)n2nc(C(C)(C)C)cc2n1.Cc1cc(C)n2nc(C)c(C(C)(C)C)c2n1.Cc1ccc2nc(Cl)c(C(C)(C)C)cc2c1.Cc1nn2cccnc2c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ATOGBLZMNFLDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN.C14H17F2N3.2C13H14ClN.C13H14FN.2C13H17N3.C13H19N3.C13H15N.C12H15F2N3.C12H15N.C12H14O.C12H14S.C11H15N3.C11H14N2.C11H13NO.C11H13NS/c1-9-5-6-12-10(7-9)8-11(13(15)16-12)14(2,3)4;1-14(2,3)11-7-12-17-9(8-4-5-8)6-10(13(15)16)19(12)18-11;1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)15-12;1-13(2,3)11-8-7-9-5-4-6-10(14)12(9)15-11;1-13(2,3)12-7-4-9-8-10(14)5-6-11(9)15-12;1-13(2,3)11-8-12-14-7-6-10(9-4-5-9)16(12)15-11;1-13(2,3)12-11(9-6-7-9)15-10-5-4-8-14-16(10)12;1-8-7-9(2)16-12(14-8)11(10(3)15-16)13(4,5)6;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-7-5-8(11(13)14)17-10(15-7)6-9(16-17)12(2,3)4;3*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-8-9(11(2,3)4)10-12-6-5-7-14(10)13-8;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;2*1-11(2,3)8-4-5-10-9(6-8)12-7-13-10/h5-8H,1-4H3;6-8,13H,4-5H2,1-3H3;3*4-8H,1-3H3;6-9H,4-5H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;7H,1-6H3;4-9H,1-3H3;5-6,11H,1-4H3;4-8,13H,1-3H3;2*4-8H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;2*4-7H,1-3H3.
What are the key properties of 5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 3482.05 g/mol, XLogP of 59.02, 5 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-2-chloro-6-methylquinoline;2-tert-butyl-6-chloroquinoline;2-tert-butyl-8-chloroquinoline;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-butyl-6-fluoroquinoline;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylquinoline;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 157226181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).