2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole)

C190H243N23O5S2 — CID 159689196

IUPAC2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole)
SMILESCC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2nc(C(C)(C)C)oc2c1.CC(C)(C)c1ccc2nc(C(C)(C)C)oc2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/2C15H21NO.C13H18N2.2C12H16N2.C12H15N.C12H14O.5C11H14N2.2C11H13NO.2C11H13NS/c2*1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h2*7-9H,1-6H3;6-8H,1-5H3;2*5-8H,1-4H3;4-8,13H,1-3H3;2*4-8H,1-3H3;2*4-6H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3
InChIKeyMWEPTAVRMAEIQB-UHFFFAOYSA-N
MW2993.32 g/mol
LogP48.91
Rot. Bonds

About 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole)

2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole) (PubChem CID 159689196) has the molecular formula C190H243N23O5S2 and a molecular weight of 2993.32 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole).

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole)
PubChem CID159689196
Molecular FormulaC190H243N23O5S2
Molecular Weight2993.32 g/mol
Exact Mass2990.89
IUPAC Name2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole)
SMILESCC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2nc(C(C)(C)C)oc2c1.CC(C)(C)c1ccc2nc(C(C)(C)C)oc2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/2C15H21NO.C13H18N2.2C12H16N2.C12H15N.C12H14O.5C11H14N2.2C11H13NO.2C11H13NS/c2*1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h2*7-9H,1-6H3;6-8H,1-5H3;2*5-8H,1-4H3;4-8,13H,1-3H3;2*4-8H,1-3H3;2*4-6H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3
InChIKeyMWEPTAVRMAEIQB-UHFFFAOYSA-N
XLogP48.91
TPSA325.01 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002993.32
LogP ≤ 548.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole) with MolForge

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Launch Full Analysis

Related Compounds

1-methoxy-3-propan-2-ylbenzene;6-propan-2-yl-1H-benzimidazol-2-amine;6-propan-2-yl-1,3-benzothiazol-2-amine;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;3-propan-2-yl-8-(trifluoromethyl)quinoline
CID 157276904
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
dialuminum;diberyllium;tetragallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;bis(N-[2-(benzotriazol-2-yl)phenyl]-2,2,2-trifluoroethanimidate);[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;2-(1-methylpyrrol-2-yl)phenolate;bis([2-(1-phenylbenzimidazol-2-yl)phenyl]-(trifluoromethyl)azanide);2-pyridin-2-ylnaphthalen-1-olate
CID 157512452
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
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
CID 160156765
CID 160156765
6-methyl-1H-benzimidazole;5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;bis(5-methyl-2H-benzotriazole);6-methyl-1,3-benzoxazole;5-methyl-2,3-dihydro-1H-indole;5-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-2-(trifluoromethyl)-1H-benzimidazole
CID 160297141
bis(N-(1,5-dimethylbenzimidazol-2-yl)acetamide);1,3-dimethyl-5-(trifluoromethyl)benzene;2-methyl-1H-benzimidazole;bis(N-(6-methyl-1H-benzimidazol-2-yl)acetamide);3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;3-methyl-1,2-benzothiazole;bis(N-(5-methyl-1,3-benzothiazol-2-yl)acetamide);3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;3-methyl-1,2-benzoxazole;bis(N-(5-methyl-1,3-benzoxazol-2-yl)acetamide);3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1H-indole
CID 160634765
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
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
1-cyclopentyl-3-propan-2-ylbenzene;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;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[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 161044231
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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole)?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole) (CID 159689196) is 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole).
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole)?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole) is CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2ccoc2c1.CC(C)(C)c1ccc2nc(C(C)(C)C)oc2c1.CC(C)(C)c1ccc2nc(C(C)(C)C)oc2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn2ccccc2n1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole)?
The InChIKey is MWEPTAVRMAEIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H21NO.C13H18N2.2C12H16N2.C12H15N.C12H14O.5C11H14N2.2C11H13NO.2C11H13NS/c2*1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-8-13-7-5-4-6-10(13)12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h2*7-9H,1-6H3;6-8H,1-5H3;2*5-8H,1-4H3;4-8,13H,1-3H3;2*4-8H,1-3H3;2*4-6H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);4*4-7H,1-3H3.
What are the key properties of 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole)?
2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole) has a molecular weight of 2993.32 g/mol, XLogP of 48.91, 0 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;bis(2,6-ditert-butyl-1,3-benzoxazole) is sourced from PubChem (CID 159689196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).