6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine

C205H246N20O6S5 — CID 159512725

IUPAC6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2ccncc2[nH]1.CC(C)(C)c1cc2ccncc2o1.CC(C)(C)c1cc2ccncc2s1.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2cnccc2o1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccoc2c1.CC(C)(C)c1cnc2occc2c1.CC(C)(C)c1cnc2sccc2c1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1
InChIInChI=1S/2C13H15N.C12H15N.C12H14O.C12H14S.4C11H14N2.5C11H13NO.4C11H13NS/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9;1-11(2,3)8-6-10-9(12-7-8)4-5-13-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h2*4-9H,1-3H3;4-5,7-8H,6H2,1-3H3;2*4-8H,1-3H3;2*4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3;9*4-7H,1-3H3
InChIKeyMAUNLLYJCQBPJI-UHFFFAOYSA-N
MW3246.69 g/mol
LogP59.39
Rot. Bonds

About 6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine

6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine (PubChem CID 159512725) has the molecular formula C205H246N20O6S5 and a molecular weight of 3246.69 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
PubChem CID159512725
Molecular FormulaC205H246N20O6S5
Molecular Weight3246.69 g/mol
Exact Mass3243.82
IUPAC Name6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2ccncc2[nH]1.CC(C)(C)c1cc2ccncc2o1.CC(C)(C)c1cc2ccncc2s1.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2cnccc2o1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccoc2c1.CC(C)(C)c1cnc2occc2c1.CC(C)(C)c1cnc2sccc2c1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1
InChIInChI=1S/2C13H15N.C12H15N.C12H14O.C12H14S.4C11H14N2.5C11H13NO.4C11H13NS/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9;1-11(2,3)8-6-10-9(12-7-8)4-5-13-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h2*4-9H,1-3H3;4-5,7-8H,6H2,1-3H3;2*4-8H,1-3H3;2*4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3;9*4-7H,1-3H3
InChIKeyMAUNLLYJCQBPJI-UHFFFAOYSA-N
XLogP59.39
TPSA348.24 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003246.69
LogP ≤ 559.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Analyze 6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine 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-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
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;5-ethyl-2-propan-2-ylpyridine;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)imidazole;5-methoxy-2-propan-2-ylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)imidazole;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-4H-furo[3,2-b]pyrrole;2-propan-2-yl-5-propan-2-yloxypyridine;5-propan-2-yl-2-propan-2-yloxypyridine;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;3-propan-2-yl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 158732687
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
3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159452581
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159780650
CID 160156765
CID 160156765
2-(1-Benzothiophen-2-yl)pyridine;2-(9,9-diethylfluoren-2-yl)-1-phenylbenzimidazole;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-quinolin-2-ylquinoline;2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160455830
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine (CID 159512725) is 6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine is CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2ccncc2[nH]1.CC(C)(C)c1cc2ccncc2o1.CC(C)(C)c1cc2ccncc2s1.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2cnccc2o1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccoc2c1.CC(C)(C)c1cnc2occc2c1.CC(C)(C)c1cnc2sccc2c1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine?
The InChIKey is MAUNLLYJCQBPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N.C12H15N.C12H14O.C12H14S.4C11H14N2.5C11H13NO.4C11H13NS/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;2*1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9;1-11(2,3)8-6-10-9(12-7-8)4-5-13-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h2*4-9H,1-3H3;4-5,7-8H,6H2,1-3H3;2*4-8H,1-3H3;2*4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3;9*4-7H,1-3H3.
What are the key properties of 6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine?
6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine has a molecular weight of 3246.69 g/mol, XLogP of 59.39, 0 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butylfuro[3,2-c]pyridine;6-tert-butylisoquinoline;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine is sourced from PubChem (CID 159512725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).