5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane)

C148H258N18OS — CID 158455588

IUPAC5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane)
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc(C(C)(C)C)nc1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnc[nH]1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C
InChIInChI=1S/2C14H22.C13H21N.C12H20N2.C12H15N.C11H14N2.C11H19NO.C11H19NS.2C7H12N2.2C6H11N3.6C4H10/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-13-10(14-8-9)12(4,5)6;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;2*1-6(2,3)5-4-7-9-8-5;6*1-4(2)3/h2*7-10H,1-6H3;7-9H,1-6H3;7-8H,1-6H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*7H,1-6H3;2*4-5H,1-3H3,(H,8,9);2*4H,1-3H3,(H,7,8,9);6*4H,1-3H3
InChIKeyHENJSQFWESVRLD-UHFFFAOYSA-N
MW2337.88 g/mol
LogP44.24
Rot. Bonds

About 5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane)

5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane) (PubChem CID 158455588) has the molecular formula C148H258N18OS and a molecular weight of 2337.88 g/mol. Its IUPAC name is 5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane).

Molecular Properties

Compound Name5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane)
PubChem CID158455588
Molecular FormulaC148H258N18OS
Molecular Weight2337.88 g/mol
Exact Mass2336.04
IUPAC Name5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane)
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc(C(C)(C)C)nc1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnc[nH]1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C
InChIInChI=1S/2C14H22.C13H21N.C12H20N2.C12H15N.C11H14N2.C11H19NO.C11H19NS.2C7H12N2.2C6H11N3.6C4H10/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-13-10(14-8-9)12(4,5)6;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;2*1-6(2,3)5-4-7-9-8-5;6*1-4(2)3/h2*7-10H,1-6H3;7-9H,1-6H3;7-8H,1-6H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*7H,1-6H3;2*4-5H,1-3H3,(H,8,9);2*4H,1-3H3,(H,7,8,9);6*4H,1-3H3
InChIKeyHENJSQFWESVRLD-UHFFFAOYSA-N
XLogP44.24
TPSA262.56 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002337.88
LogP ≤ 544.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane) with MolForge

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Related Compounds

3-[6-(1H-imidazol-2-yl)-5-(1H-pyrazol-3-yl)-1-quinolin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)isoquinolin-7-yl]-1,2-oxazole
CID 141008274
3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
CID 141028379
3-[2-cinnolin-3-yl-6-(1H-indazol-3-yl)-4-pyridazin-3-yl-1-(1H-pyrrol-2-yl)-5,7-bis(1,3-thiazol-2-yl)-2H-quinazolin-8-yl]-1,2-oxazole
CID 141064198
ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole
CID 157271812
5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;4-tert-butyl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 157303965
1,2-di(propan-2-yl)indole;bis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;4,5-di(propan-2-yl)thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-2,5-di(propan-2-yl)triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-2,3-dihydropyridine;3-propan-2-yl-2H-indazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylquinoline;5-propan-2-yl-1H-1,2,4-triazole
CID 157647988
1,2-di(propan-2-yl)indole;bis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;4,5-di(propan-2-yl)thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;methane;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-2,5-di(propan-2-yl)triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-2,3-dihydropyridine;3-propan-2-yl-2H-indazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylquinoline;5-propan-2-yl-1H-1,2,4-triazole
CID 157695954
2-methyl-1,3-benzothiazole;1-methylimidazole;2-methylnaphthalene;3-methyl-1,2-oxazole;2-methyl-1-oxidopyridin-1-ium;2-methylpyrazine;4-methyl-1H-pyrazole;4-methylpyridazine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
CID 157757039
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;(Z)-2-tert-butylbut-2-ene-1,4-diimine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;4-tert-butyl-1H-indole;5-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-1,2-thiazole;3-tert-butylthieno[2,3-b]pyridine;3-tert-butylthieno[3,2-c]pyridine;3-propan-2-yl-1,2-oxazole
CID 157766823
1,2-Dimethylpyridin-1-ium;2,3-dimethyl-1,3,4-thiadiazol-3-ium;4,5-dimethyl-1,2,4-thiadiazol-4-ium;2,3-dimethyl-1,3-thiazol-3-ium;methane;1,2,3,4-tetramethylimidazol-1-ium;1,3,6-trimethyl-3,6-dihydropyridazin-1-ium;1,2,3-trimethylindazol-1-ium;2,3,5-trimethyl-1,2-oxazol-2-ium;3,4,5-trimethyl-1,2,4-thiadiazol-4-ium
CID 157869544
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;6-tert-butylquinoxaline
CID 158005789
1-[2-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;bis(3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one);3-(1H-indol-3-ylmethyl)-1-[2-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1,3-thiazol-5-yl]heptan-1-one
CID 158039978

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane)?
The IUPAC name of 5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane) (CID 158455588) is 5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane).
What is the SMILES notation for 5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane)?
The canonical SMILES for 5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane) is CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc(C(C)(C)C)nc1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnc[nH]1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.
What is the InChIKey of 5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane)?
The InChIKey is HENJSQFWESVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H22.C13H21N.C12H20N2.C12H15N.C11H14N2.C11H19NO.C11H19NS.2C7H12N2.2C6H11N3.6C4H10/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-13-10(14-8-9)12(4,5)6;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;2*1-6(2,3)5-4-7-9-8-5;6*1-4(2)3/h2*7-10H,1-6H3;7-9H,1-6H3;7-8H,1-6H3;4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*7H,1-6H3;2*4-5H,1-3H3,(H,8,9);2*4H,1-3H3,(H,7,8,9);6*4H,1-3H3.
What are the key properties of 5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane)?
5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane) has a molecular weight of 2337.88 g/mol, XLogP of 44.24, 0 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1H-imidazole;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;4-tert-butyl-1H-pyrazole;bis(4-tert-butyl-2H-triazole);1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butylpyridine;2,5-ditert-butylpyrimidine;2,5-ditert-butyl-1,3-thiazole;hexakis(2-methylpropane) is sourced from PubChem (CID 158455588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).