4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole

C246H439N35S4 — CID 163737681

IUPAC4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole
SMILESCC(C)(C)c1c[nH]c(C(C)(C)C)c1.CC(C)(C)c1ccc(C(C)(C)C)[nH]1.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)c1cc(C(C)(C)C)n[nH]1.CC(C)c1ccn(C(C)C)n1.CC(C)n1cc(C(C)(C)C)cn1.CC(C)n1cnc(C(C)(C)C)c1.Cc1[nH]c(C(C)(C)C)cc1C(C)(C)C.Cc1[nH]c(C(C)(C)C)nc1C(C)(C)C.Cc1c(C(C)(C)C)c[nH]c1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C(C)C.Cc1c(C(C)(C)C)n[nH]c1C(C)C.Cc1c(C(C)(C)C)ncn1C(C)C.Cc1cc(C(C)(C)C)[nH]c1C(C)(C)C.Cc1cc(C(C)C)nn1C(C)C.Cc1cn(C(C)C)nc1C(C)C.Cc1nc(C(C)(C)C)cn1C(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.Cc1nn(C(C)C)cc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C
InChIInChI=1S/3C13H23N.C12H22N2.2C12H21NS.2C12H21N.6C11H20N2.2C11H19NS.5C10H18N2.C9H16N2/c1-9-10(12(2,3)4)8-14-11(9)13(5,6)7;1-9-10(12(2,3)4)8-11(14-9)13(5,6)7;1-9-8-10(12(2,3)4)14-11(9)13(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-11(2,3)9-7-10(13-8-9)12(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8(2)13-7-12-10(9(13)3)11(4,5)6;1-8(2)13-7-10(11(4,5)6)12-9(13)3;1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-8(2)13-9(3)10(7-12-13)11(4,5)6;1-7(2)9-8(3)10(13-12-9)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8(2)12-6-9(11-7-12)10(3,4)5;1-8(2)12-7-9(6-11-12)10(3,4)5;1-7(2)8-6-9(12-11-8)10(3,4)5;1-7(2)10-9(5)6-12(11-10)8(3)4;1-7(2)10-6-9(5)12(11-10)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4/h3*8,14H,1-7H3;1-7H3,(H,13,14);2*1-7H3;2*7-8,13H,1-6H3;7H,1-6H3,(H,12,13);4*7-8H,1-6H3;7H,1-6H3,(H,12,13);2*7H,1-6H3;2*6-8H,1-5H3;6-7H,1-5H3,(H,11,12);2*6-8H,1-5H3;5-8H,1-4H3
InChIKeyLFAMZZYWCLHCLA-UHFFFAOYSA-N
MW4015.73 g/mol
LogP73.01
Rot. Bonds14

About 4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole

4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole (PubChem CID 163737681) has the molecular formula C246H439N35S4 and a molecular weight of 4015.73 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole
PubChem CID163737681
Molecular FormulaC246H439N35S4
Molecular Weight4015.73 g/mol
Exact Mass4012.43
IUPAC Name4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole
SMILESCC(C)(C)c1c[nH]c(C(C)(C)C)c1.CC(C)(C)c1ccc(C(C)(C)C)[nH]1.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)c1cc(C(C)(C)C)n[nH]1.CC(C)c1ccn(C(C)C)n1.CC(C)n1cc(C(C)(C)C)cn1.CC(C)n1cnc(C(C)(C)C)c1.Cc1[nH]c(C(C)(C)C)cc1C(C)(C)C.Cc1[nH]c(C(C)(C)C)nc1C(C)(C)C.Cc1c(C(C)(C)C)c[nH]c1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C(C)C.Cc1c(C(C)(C)C)n[nH]c1C(C)C.Cc1c(C(C)(C)C)ncn1C(C)C.Cc1cc(C(C)(C)C)[nH]c1C(C)(C)C.Cc1cc(C(C)C)nn1C(C)C.Cc1cn(C(C)C)nc1C(C)C.Cc1nc(C(C)(C)C)cn1C(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.Cc1nn(C(C)C)cc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C
InChIInChI=1S/3C13H23N.C12H22N2.2C12H21NS.2C12H21N.6C11H20N2.2C11H19NS.5C10H18N2.C9H16N2/c1-9-10(12(2,3)4)8-14-11(9)13(5,6)7;1-9-10(12(2,3)4)8-11(14-9)13(5,6)7;1-9-8-10(12(2,3)4)14-11(9)13(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-11(2,3)9-7-10(13-8-9)12(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8(2)13-7-12-10(9(13)3)11(4,5)6;1-8(2)13-7-10(11(4,5)6)12-9(13)3;1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-8(2)13-9(3)10(7-12-13)11(4,5)6;1-7(2)9-8(3)10(13-12-9)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8(2)12-6-9(11-7-12)10(3,4)5;1-8(2)12-7-9(6-11-12)10(3,4)5;1-7(2)8-6-9(12-11-8)10(3,4)5;1-7(2)10-9(5)6-12(11-10)8(3)4;1-7(2)10-6-9(5)12(11-10)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4/h3*8,14H,1-7H3;1-7H3,(H,13,14);2*1-7H3;2*7-8,13H,1-6H3;7H,1-6H3,(H,12,13);4*7-8H,1-6H3;7H,1-6H3,(H,12,13);2*7H,1-6H3;2*6-8H,1-5H3;6-7H,1-5H3,(H,11,12);2*6-8H,1-5H3;5-8H,1-4H3
InChIKeyLFAMZZYWCLHCLA-UHFFFAOYSA-N
XLogP73.01
TPSA405.61 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds14
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004015.73
LogP ≤ 573.01
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole with MolForge

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Launch Full Analysis

Related Compounds

N,N-diethyl-3-methylbutan-1-amine;N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine;1,1-difluoro-5-methylhexane;1-(dimethylamino)-3-methylbutan-2-ol;N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N-(2-methoxyethyl)-N,3-dimethylbutan-1-amine;N-(2-methoxyethyl)-3-methylbutan-1-amine;2-methylhexane;1-methyl-2-(3-methylbutyl)piperidine;1-methyl-3-(2-methylpropyl)pyrrolidine;2-(4-methylpentyl)-1,3-thiazole;2-methyl-N-(2-pyrimidin-2-ylethyl)propan-1-amine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;2-propan-2-ylpyrrolidine;1,1,1-trifluoro-3-methylbutan-2-ol;1,1,1-trifluoro-5-methylhexane;1,1,1-trifluoro-4-methylpentane;N,N,3-trimethylbutan-1-amine;2,2,6-trimethylheptane
CID 158323952
1-methyl-3-(4-propan-2-ylphenyl)pyrazole;4-methyl-5-(4-propan-2-ylphenyl)-1H-pyrazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole;4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole;1-methyl-4-(4-propan-2-ylphenyl)triazole;1-methyl-5-(4-propan-2-ylphenyl)triazole;2-methyl-4-(4-propan-2-ylphenyl)triazole;2-(4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3-thiazole
CID 161222423
1-methyl-3-(4-propan-2-ylphenyl)pyrazole;4-methyl-5-(4-propan-2-ylphenyl)-1H-pyrazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole;4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;5-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazole;1-methyl-3-(4-propan-2-ylphenyl)-1,2,4-triazole;1-methyl-5-(4-propan-2-ylphenyl)triazole;2-methyl-4-(4-propan-2-ylphenyl)triazole;2-(4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3-thiazole
CID 161838084
4-(1-methyl-1H-pyrazol-4-yl)-5-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 56721119
6-{3-[5-(1H-Tetrazol-5-yl)-thiophen-2-yl]-1H-pyrazol-4-yl}-3-thiazol-2-yl-imidazo[1,2-a]pyridine dihydrochloride
CID 22031102
2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 22031103
2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 23537403
7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
CID 58094765
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 69063831
7-[4-(1H-imidazol-2-yl)-5-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
CID 118258075
2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole
CID 135197068
4-[3-(1H-imidazol-2-yl)-6-phenyl-1,7-dihydroindazol-6-yl]-1,3-thiazole
CID 135594017

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole?
The IUPAC name of 4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole (CID 163737681) is 4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole.
What is the SMILES notation for 4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole?
The canonical SMILES for 4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole is CC(C)(C)c1c[nH]c(C(C)(C)C)c1.CC(C)(C)c1ccc(C(C)(C)C)[nH]1.CC(C)(C)c1cnc(C(C)(C)C)[nH]1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1csc(C(C)(C)C)n1.CC(C)c1cc(C(C)(C)C)n[nH]1.CC(C)c1ccn(C(C)C)n1.CC(C)n1cc(C(C)(C)C)cn1.CC(C)n1cnc(C(C)(C)C)c1.Cc1[nH]c(C(C)(C)C)cc1C(C)(C)C.Cc1[nH]c(C(C)(C)C)nc1C(C)(C)C.Cc1c(C(C)(C)C)c[nH]c1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C(C)C.Cc1c(C(C)(C)C)n[nH]c1C(C)C.Cc1c(C(C)(C)C)ncn1C(C)C.Cc1cc(C(C)(C)C)[nH]c1C(C)(C)C.Cc1cc(C(C)C)nn1C(C)C.Cc1cn(C(C)C)nc1C(C)C.Cc1nc(C(C)(C)C)cn1C(C)C.Cc1nc(C(C)(C)C)sc1C(C)(C)C.Cc1nn(C(C)C)cc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole?
The InChIKey is LFAMZZYWCLHCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H23N.C12H22N2.2C12H21NS.2C12H21N.6C11H20N2.2C11H19NS.5C10H18N2.C9H16N2/c1-9-10(12(2,3)4)8-14-11(9)13(5,6)7;1-9-10(12(2,3)4)8-11(14-9)13(5,6)7;1-9-8-10(12(2,3)4)14-11(9)13(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-11(2,3)9-7-10(13-8-9)12(4,5)6;1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8(2)13-7-12-10(9(13)3)11(4,5)6;1-8(2)13-7-10(11(4,5)6)12-9(13)3;1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-8(2)13-9(3)10(7-12-13)11(4,5)6;1-7(2)9-8(3)10(13-12-9)11(4,5)6;1-10(2,3)8-7-13-9(12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-8(2)12-6-9(11-7-12)10(3,4)5;1-8(2)12-7-9(6-11-12)10(3,4)5;1-7(2)8-6-9(12-11-8)10(3,4)5;1-7(2)10-9(5)6-12(11-10)8(3)4;1-7(2)10-6-9(5)12(11-10)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4/h3*8,14H,1-7H3;1-7H3,(H,13,14);2*1-7H3;2*7-8,13H,1-6H3;7H,1-6H3,(H,12,13);4*7-8H,1-6H3;7H,1-6H3,(H,12,13);2*7H,1-6H3;2*6-8H,1-5H3;6-7H,1-5H3,(H,11,12);2*6-8H,1-5H3;5-8H,1-4H3.
What are the key properties of 4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole?
4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole has a molecular weight of 4015.73 g/mol, XLogP of 73.01, 14 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-1-propan-2-ylimidazole;4-tert-butyl-5-methyl-1-propan-2-ylimidazole;3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propan-2-ylimidazole;3-tert-butyl-5-propan-2-yl-1H-pyrazole;4-tert-butyl-1-propan-2-ylpyrazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-5-methyl-1H-imidazole;2,4-ditert-butyl-3-methyl-1H-pyrrole;2,5-ditert-butyl-3-methyl-1H-pyrrole;3,5-ditert-butyl-2-methyl-1H-pyrrole;2,4-ditert-butyl-5-methyl-1,3-thiazole;2,5-ditert-butyl-4-methyl-1,3-thiazole;2,4-ditert-butyl-1H-pyrrole;2,5-ditert-butyl-1H-pyrrole;2,4-ditert-butyl-1,3-thiazole;2,5-ditert-butyl-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;4-methyl-1,3-di(propan-2-yl)pyrazole;5-methyl-1,3-di(propan-2-yl)pyrazole is sourced from PubChem (CID 163737681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).