4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine

C191H266F6N30O9S2 — CID 161129238

IUPAC4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine
SMILESCC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccc(C(C)(C)O)n1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(CC(F)(F)F)n1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2ncnn12.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1csc2cncnc12.CC(C)(C)c1csc2nccnc12.CC(C)Oc1cccc(C(C)C)n1.CO[C@@H](C)c1cccc(C(C)(C)C)n1.CO[C@H](C)c1cccc(C(C)(C)C)n1.COc1cccc(C(C)C)n1.C[C@@H](O)c1cccc(C(C)(C)C)n1.C[C@H](O)c1cccc(C(C)(C)C)n1.Cc1cnn2c(C(C)(C)C)cnc2c1.Cn1ccn2ncc(C(C)(C)C)c2c1=O
InChIInChI=1S/3C12H19NO.C11H14F3N.C11H15N3O.C11H15N3.C11H14N2.3C11H17NO.C10H12F3N.2C10H13N3.2C10H12N2S.C10H12N2.2C9H13NO/c1-11(2,3)9-7-6-8-10(13-9)12(4,5)14;2*1-9(14-5)10-7-6-8-11(13-10)12(2,3)4;1-10(2,3)9-6-4-5-8(15-9)7-11(12,13)14;1-11(2,3)8-7-12-14-6-5-13(4)10(15)9(8)14;1-8-5-10-12-7-9(11(2,3)4)14(10)13-6-8;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;2*1-8(13)9-6-5-7-10(12-9)11(2,3)4;1-8(2)10-6-5-7-11(12-10)13-9(3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;1-10(2,3)8-5-4-6-9-11-7-12-13(8)9;1-10(2,3)7-5-13-8-4-11-6-12-9(7)8;1-10(2,3)7-6-13-9-8(7)11-4-5-12-9;1-10(2,3)9-6-4-5-8(7-11)12-9;1-9(2,3)8-6-7(11)4-5-10-8;1-7(2)8-5-4-6-9(10-8)11-3/h6-8,14H,1-5H3;2*6-9H,1-5H3;4-6H,7H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13);2*5-8,13H,1-4H3;5-9H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3/t;2*9-;;;;;2*8-;;;;;;;;;/m.10....10........./s1
InChIKeyULYRZNJOZFOQCE-GIMLXWFBSA-N
MW3304.55 g/mol
LogP46.21
Rot. Bonds13

About 4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine

4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine (PubChem CID 161129238) has the molecular formula C191H266F6N30O9S2 and a molecular weight of 3304.55 g/mol. Its IUPAC name is 4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine.

Molecular Properties

Compound Name4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine
PubChem CID161129238
Molecular FormulaC191H266F6N30O9S2
Molecular Weight3304.55 g/mol
Exact Mass3302.06
IUPAC Name4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine
SMILESCC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccc(C(C)(C)O)n1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(CC(F)(F)F)n1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2ncnn12.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1csc2cncnc12.CC(C)(C)c1csc2nccnc12.CC(C)Oc1cccc(C(C)C)n1.CO[C@@H](C)c1cccc(C(C)(C)C)n1.CO[C@H](C)c1cccc(C(C)(C)C)n1.COc1cccc(C(C)C)n1.C[C@@H](O)c1cccc(C(C)(C)C)n1.C[C@H](O)c1cccc(C(C)(C)C)n1.Cc1cnn2c(C(C)(C)C)cnc2c1.Cn1ccn2ncc(C(C)(C)C)c2c1=O
InChIInChI=1S/3C12H19NO.C11H14F3N.C11H15N3O.C11H15N3.C11H14N2.3C11H17NO.C10H12F3N.2C10H13N3.2C10H12N2S.C10H12N2.2C9H13NO/c1-11(2,3)9-7-6-8-10(13-9)12(4,5)14;2*1-9(14-5)10-7-6-8-11(13-10)12(2,3)4;1-10(2,3)9-6-4-5-8(15-9)7-11(12,13)14;1-11(2,3)8-7-12-14-6-5-13(4)10(15)9(8)14;1-8-5-10-12-7-9(11(2,3)4)14(10)13-6-8;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;2*1-8(13)9-6-5-7-10(12-9)11(2,3)4;1-8(2)10-6-5-7-11(12-10)13-9(3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;1-10(2,3)8-5-4-6-9-11-7-12-13(8)9;1-10(2,3)7-5-13-8-4-11-6-12-9(7)8;1-10(2,3)7-6-13-9-8(7)11-4-5-12-9;1-10(2,3)9-6-4-5-8(7-11)12-9;1-9(2,3)8-6-7(11)4-5-10-8;1-7(2)8-5-4-6-9(10-8)11-3/h6-8,14H,1-5H3;2*6-9H,1-5H3;4-6H,7H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13);2*5-8,13H,1-4H3;5-9H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3/t;2*9-;;;;;2*8-;;;;;;;;;/m.10....10........./s1
InChIKeyULYRZNJOZFOQCE-GIMLXWFBSA-N
XLogP46.21
TPSA493.27 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds13
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003304.55
LogP ≤ 546.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Analyze 4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;2-tert-butyl-6-methoxypyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;2-tert-butyl-6-propan-2-yloxypyridine;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 160072421
7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-tert-butyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-tert-butyl-2-pyrimidin-4-yl-1,3-oxazole;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 160608168
2-tert-butyl-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4-morpholin-4-yl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 160648167
4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-tert-butyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;5-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-tert-butyl-2-pyrimidin-4-yl-1,3-oxazole;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine
CID 160948342
cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 167657542
(4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol
CID 157457485
4-tert-butyl-2H-benzotriazole;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;2-tert-butylfuro[2,3-c]pyridine;7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;4-tert-butyl-2-pyrimidin-4-yl-1,3-oxazole;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine;7-tert-butylthieno[3,2-d]pyrimidin-4-amine
CID 157603855
(4-tert-butyl-1H-benzimidazol-2-yl)methanol;4-tert-butyl-2H-benzotriazole;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;3-tert-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;2-tert-butyl-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;7-tert-butyl-3-ethyltriazolo[4,5-c]pyridine;2-tert-butylfuro[2,3-c]pyridine;3-tert-butyl-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;8-tert-butyl-2-methylimidazo[1,2-a]pyridine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;3-tert-butyl-4H-pyrazolo[1,5-a]pyrimidin-5-one;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butylthieno[3,2-b]pyridine-6-carbonitrile;7-tert-butylthieno[3,2-d]pyrimidin-4-amine;2-(7-tert-butyltriazolo[4,5-c]pyridin-3-yl)ethanol
CID 157628827
6-tert-butyl-5H-cyclopenta[d]pyrimidine;7-tert-butylfuro[3,4-c]pyridazine;2-tert-butylfuro[2,3-d]pyridazine;6-tert-butylfuro[2,3-d]pyrimidine;6-tert-butylfuro[3,2-d]pyrimidine;7-tert-butylimidazo[1,5-b]pyridazine;2-tert-butylpyrazolo[1,5-a]pyrazine;2-tert-butylpyrazolo[1,5-a]pyrimidine;2-tert-butylpyrazolo[1,5-b]pyridazine;2-tert-butylpyrazolo[1,5-c]pyrimidine;6-tert-butylpyrrolo[3,4-c]pyridazine;2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine;6-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;6-tert-butylthieno[2,3-c]pyridazine;7-tert-butylthieno[3,4-c]pyridazine;2-tert-butylthieno[2,3-d]pyridazine;6-tert-butylthieno[2,3-d]pyrimidine;6-tert-butylthieno[3,2-d]pyrimidine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butyltriazolo[1,5-a]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;6-propan-2-ylimidazo[1,5-a]pyrimidine;3-propan-2-ylimidazo[1,5-c]pyrimidine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 157639256
7-tert-butylfuro[3,4-c]pyridazine;2-tert-butylfuro[2,3-d]pyridazine;6-tert-butylfuro[2,3-d]pyrimidine;6-tert-butylfuro[3,2-d]pyrimidine;7-tert-butylimidazo[1,5-b]pyridazine;2-tert-butylpyrazolo[1,5-a]pyrazine;2-tert-butylpyrazolo[1,5-a]pyrimidine;2-tert-butylpyrazolo[1,5-b]pyridazine;2-tert-butylpyrazolo[1,5-c]pyrimidine;2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine;6-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;7-tert-butylthieno[3,4-c]pyridazine;2-tert-butylthieno[2,3-d]pyridazine;6-tert-butylthieno[2,3-d]pyrimidine;6-tert-butylthieno[3,2-d]pyrimidine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3-tert-butyltriazolo[1,5-a]pyridine;6-propan-2-yl-5H-cyclopenta[d]pyrimidine;3-propan-2-ylimidazo[1,5-a]pyrazine;6-propan-2-ylimidazo[1,5-a]pyrimidine;3-propan-2-ylimidazo[1,5-c]pyrimidine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 158332491
3-tert-butyl-1H-indole;cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-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-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158878048
CID 159390266
CID 159390266

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine?
The IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine (CID 161129238) is 4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine.
What is the SMILES notation for 4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine?
The canonical SMILES for 4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine is CC(C)(C)c1cc(=O)cc[nH]1.CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1cccc(C(C)(C)O)n1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(CC(F)(F)F)n1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2ncnn12.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1csc2cncnc12.CC(C)(C)c1csc2nccnc12.CC(C)Oc1cccc(C(C)C)n1.CO[C@@H](C)c1cccc(C(C)(C)C)n1.CO[C@H](C)c1cccc(C(C)(C)C)n1.COc1cccc(C(C)C)n1.C[C@@H](O)c1cccc(C(C)(C)C)n1.C[C@H](O)c1cccc(C(C)(C)C)n1.Cc1cnn2c(C(C)(C)C)cnc2c1.Cn1ccn2ncc(C(C)(C)C)c2c1=O.
What is the InChIKey of 4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine?
The InChIKey is ULYRZNJOZFOQCE-GIMLXWFBSA-N. The full InChI is InChI=1S/3C12H19NO.C11H14F3N.C11H15N3O.C11H15N3.C11H14N2.3C11H17NO.C10H12F3N.2C10H13N3.2C10H12N2S.C10H12N2.2C9H13NO/c1-11(2,3)9-7-6-8-10(13-9)12(4,5)14;2*1-9(14-5)10-7-6-8-11(13-10)12(2,3)4;1-10(2,3)9-6-4-5-8(15-9)7-11(12,13)14;1-11(2,3)8-7-12-14-6-5-13(4)10(15)9(8)14;1-8-5-10-12-7-9(11(2,3)4)14(10)13-6-8;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;2*1-8(13)9-6-5-7-10(12-9)11(2,3)4;1-8(2)10-6-5-7-11(12-10)13-9(3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;1-10(2,3)8-5-4-6-9-11-7-12-13(8)9;1-10(2,3)7-5-13-8-4-11-6-12-9(7)8;1-10(2,3)7-6-13-9-8(7)11-4-5-12-9;1-10(2,3)9-6-4-5-8(7-11)12-9;1-9(2,3)8-6-7(11)4-5-10-8;1-7(2)8-5-4-6-9(10-8)11-3/h6-8,14H,1-5H3;2*6-9H,1-5H3;4-6H,7H2,1-3H3;5-7H,1-4H3;5-7H,1-4H3;4-7H,1-3H3,(H,12,13);2*5-8,13H,1-4H3;5-9H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H,10,11);4-7H,1-3H3/t;2*9-;;;;;2*8-;;;;;;;;;/m.10....10........./s1.
What are the key properties of 4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine?
4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine has a molecular weight of 3304.55 g/mol, XLogP of 46.21, 13 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-benzimidazole;3-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-[(1S)-1-methoxyethyl]pyridine;2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine;3-tert-butyl-7-methylimidazo[1,2-b]pyridazine;3-tert-butyl-5-methylpyrazolo[1,5-a]pyrazin-4-one;6-tert-butylpyridine-2-carbonitrile;2-tert-butyl-1H-pyridin-4-one;(1S)-1-(6-tert-butyl-2-pyridinyl)ethanol;(1R)-1-(6-tert-butyl-2-pyridinyl)ethanol;2-(6-tert-butyl-2-pyridinyl)propan-2-ol;7-tert-butylthieno[2,3-b]pyrazine;7-tert-butylthieno[3,2-d]pyrimidine;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-6-(2,2,2-trifluoroethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;2-methoxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine is sourced from PubChem (CID 161129238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).