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

C210H272N30O3S2 — CID 159210875

IUPAC2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen
SMILESCC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2c(c1)=NCN=2.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.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1nn(C)c2cc(C(C)(C)C)ccc12.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cc2ccc(C(C)(C)C)cc2n1.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.Cn1ncc2ccc(C(C)(C)C)cc21.[H][H]
InChIInChI=1S/2C13H18N2.5C12H16N2.2C12H15NO.C12H15N.5C11H14N2.C11H13NO.2C11H13NS.H2/c1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-9-11-7-6-10(13(2,3)4)8-12(11)15(5)14-9;1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;2*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;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;2*1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;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;2*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*6-8H,1-5H3;4*5-8H,1-4H3;5-7H,1-4H3,(H,13,14);2*5-7H,1-4H3;4-8,13H,1-3H3;4-8H,1-3H3;2*4-6H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3;1H
InChIKeyKQMBZNZNJVLYOW-UHFFFAOYSA-N
MW3328.83 g/mol
LogP52.42
Rot. Bonds

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

2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen (PubChem CID 159210875) has the molecular formula C210H272N30O3S2 and a molecular weight of 3328.83 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen
PubChem CID159210875
Molecular FormulaC210H272N30O3S2
Molecular Weight3328.83 g/mol
Exact Mass3326.15
IUPAC Name2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen
SMILESCC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2c(c1)=NCN=2.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.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1nn(C)c2cc(C(C)(C)C)ccc12.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cc2ccc(C(C)(C)C)cc2n1.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.Cn1ncc2ccc(C(C)(C)C)cc21.[H][H]
InChIInChI=1S/2C13H18N2.5C12H16N2.2C12H15NO.C12H15N.5C11H14N2.C11H13NO.2C11H13NS.H2/c1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-9-11-7-6-10(13(2,3)4)8-12(11)15(5)14-9;1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;2*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;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;2*1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;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;2*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*6-8H,1-5H3;4*5-8H,1-4H3;5-7H,1-4H3,(H,13,14);2*5-7H,1-4H3;4-8,13H,1-3H3;4-8H,1-3H3;2*4-6H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3;1H
InChIKeyKQMBZNZNJVLYOW-UHFFFAOYSA-N
XLogP52.42
TPSA367.98 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003328.83
LogP ≤ 552.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

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

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Launch Full Analysis

Related Compounds

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-5-cyclopropyl-1,3,4-thiadiazole;5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;tetrakis(5-tert-butyl-3-methyl-1,2,4-thiadiazole);2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 157130984
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
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
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-5-cyclopropyl-1,3,4-thiadiazole;5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole;2-tert-butyl-4-cyclopropyl-1,3-thiazole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);2-tert-butyl-5-methyl-4-(trifluoromethyl)-1,3-thiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole;5-tert-butyl-3-(trifluoromethyl)-1,2,4-thiadiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-thiazole
CID 159932616
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
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
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
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;3-methyl-1,2-benzoxazole;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;3-methyl-2H-indazole;6-methyl-1H-indazole;2-methylthieno[2,3-b]pyridine
CID 161731893
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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen (CID 159210875) is 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen.
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen is CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1ccc2c(c1)=NCN=2.CC(C)(C)c1ccc2c(c1)=NCN=2.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.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1ccc2nc(C(C)(C)C)oc2c1.Cc1nn(C)c2cc(C(C)(C)C)ccc12.Cc1nn(C)c2ccc(C(C)(C)C)cc12.Cn1cc2ccc(C(C)(C)C)cc2n1.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.Cn1ncc2ccc(C(C)(C)C)cc21.[H][H].
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen?
The InChIKey is KQMBZNZNJVLYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18N2.5C12H16N2.2C12H15NO.C12H15N.5C11H14N2.C11H13NO.2C11H13NS.H2/c1-9-11-8-10(13(2,3)4)6-7-12(11)15(5)14-9;1-9-11-7-6-10(13(2,3)4)8-12(11)15(5)14-9;1-12(2,3)10-6-5-9-8-14(4)13-11(9)7-10;2*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;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;2*1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;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;2*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*6-8H,1-5H3;4*5-8H,1-4H3;5-7H,1-4H3,(H,13,14);2*5-7H,1-4H3;4-8,13H,1-3H3;4-8H,1-3H3;2*4-6H,7H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3;1H.
What are the key properties of 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen?
2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen has a molecular weight of 3328.83 g/mol, XLogP of 52.42, 0 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;bis(2-tert-butyl-6-methyl-1,3-benzoxazole);5-tert-butyl-3-methyl-2H-indazole;bis(6-tert-butyl-1-methylindazole);6-tert-butyl-2-methylindazole;5-tert-butylpyrazolo[1,5-a]pyridine;molecular hydrogen is sourced from PubChem (CID 159210875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).