6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine

C190H230N22O5S6 — CID 157260635

IUPAC6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc2ccncc2[nH]1.CC(C)(C)c1cc2ccncc2o1.CC(C)(C)c1cc2ccncc2s1.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccoc2c1.CC(C)(C)c1cnc2ccsc2c1.CC(C)(C)c1cnc2occc2c1.CC(C)(C)c1cnc2sccc2c1.Cn1c(C(C)(C)C)cc2ccncc21
InChIInChI=1S/C13H15N.C12H16N2.4C11H14N2.5C11H13NO.6C11H13NS/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)11-7-9-5-6-13-8-10(9)14(11)4;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)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;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)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h4-9H,1-3H3;5-8H,1-4H3;2*4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3;11*4-7H,1-3H3
InChIKeyAXKJBHVYRYTAMR-UHFFFAOYSA-N
MW3094.48 g/mol
LogP55.03
Rot. Bonds

About 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine

6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine (PubChem CID 157260635) has the molecular formula C190H230N22O5S6 and a molecular weight of 3094.48 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
PubChem CID157260635
Molecular FormulaC190H230N22O5S6
Molecular Weight3094.48 g/mol
Exact Mass3091.67
IUPAC Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc2ccncc2[nH]1.CC(C)(C)c1cc2ccncc2o1.CC(C)(C)c1cc2ccncc2s1.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccoc2c1.CC(C)(C)c1cnc2ccsc2c1.CC(C)(C)c1cnc2occc2c1.CC(C)(C)c1cnc2sccc2c1.Cn1c(C(C)(C)C)cc2ccncc21
InChIInChI=1S/C13H15N.C12H16N2.4C11H14N2.5C11H13NO.6C11H13NS/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)11-7-9-5-6-13-8-10(9)14(11)4;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)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;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)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h4-9H,1-3H3;5-8H,1-4H3;2*4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3;11*4-7H,1-3H3
InChIKeyAXKJBHVYRYTAMR-UHFFFAOYSA-N
XLogP55.03
TPSA352.92 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003094.48
LogP ≤ 555.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-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
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
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;2-ethyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;N-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine;3-propan-2-yl-5,6,7,8-tetrahydro-1,7-naphthyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160863111
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,2-benzoxazol-3-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline;6-propan-2-yl-1,2-benzoxazol-3-amine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine;2-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 160944258
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 161999348
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-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 91005795
4-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-[4-[4-[4-[3-[4-[5-[1-[5-[5-[4-[3-[4-[5-(1H-indol-2-yl)-3H-benzotriazol-4-yl]-1H-benzimidazol-2-yl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]oxadiazol-4-yl]tetrazol-5-yl]-1H-triazol-4-yl]pyrimidin-2-yl]-2-pyridinyl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]-5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrrolidin-2-yl]morpholine
CID 91229188
3-[1-[1-[2-[2-[2-[4-(3-hydroxy-2-pyridinyl)-1H-imidazol-5-yl]thiophen-3-yl]furan-3-yl]-3-pyridinyl]piperazin-2-yl]piperidin-2-yl]-4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]isoquinolin-1-yl]-1H-quinolin-2-one
CID 135984016

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-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;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine (CID 157260635) is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-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;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-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;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine is CC(C)(C)c1cc2ccncc2[nH]1.CC(C)(C)c1cc2ccncc2o1.CC(C)(C)c1cc2ccncc2s1.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccoc2c1.CC(C)(C)c1cnc2ccsc2c1.CC(C)(C)c1cnc2occc2c1.CC(C)(C)c1cnc2sccc2c1.Cn1c(C(C)(C)C)cc2ccncc21.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine?
The InChIKey is AXKJBHVYRYTAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H16N2.4C11H14N2.5C11H13NO.6C11H13NS/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)11-7-9-5-6-13-8-10(9)14(11)4;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)10-6-8-4-5-12-7-9(8)13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;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)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)9-6-8-4-5-13-10(8)12-7-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h4-9H,1-3H3;5-8H,1-4H3;2*4-7,13H,1-3H3;4-7H,1-3H3,(H,12,13);4-7,13H,1-3H3;11*4-7H,1-3H3.
What are the key properties of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine?
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine has a molecular weight of 3094.48 g/mol, XLogP of 55.03, 0 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;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;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine is sourced from PubChem (CID 157260635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).