2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole

C89H156N10O4 — CID 159669688

IUPAC2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole
SMILESCC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)c1cnc(C(C)(C)C)[nH]1
InChIInChI=1S/2C12H20O.3C11H20N2.2C11H19NO.C10H18N2/c2*1-11(2,3)9-7-10(13-8-9)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;3*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-7(2)8-6-11-9(12-8)10(3,4)5/h4*7-8H,1-6H3;7H,1-6H3,(H,12,13);2*7H,1-6H3;6-7H,1-5H3,(H,11,12)
InChIKeyMTVNVLZMIATIPL-UHFFFAOYSA-N
MW1430.29 g/mol
LogP25.99
Rot. Bonds1

About 2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole

2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole (PubChem CID 159669688) has the molecular formula C89H156N10O4 and a molecular weight of 1430.29 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole.

Molecular Properties

Compound Name2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole
PubChem CID159669688
Molecular FormulaC89H156N10O4
Molecular Weight1430.29 g/mol
Exact Mass1429.23
IUPAC Name2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole
SMILESCC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)c1cnc(C(C)(C)C)[nH]1
InChIInChI=1S/2C12H20O.3C11H20N2.2C11H19NO.C10H18N2/c2*1-11(2,3)9-7-10(13-8-9)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;3*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-7(2)8-6-11-9(12-8)10(3,4)5/h4*7-8H,1-6H3;7H,1-6H3,(H,12,13);2*7H,1-6H3;6-7H,1-5H3,(H,11,12)
InChIKeyMTVNVLZMIATIPL-UHFFFAOYSA-N
XLogP25.99
TPSA171.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001430.29
LogP ≤ 525.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-ethylpyrazole;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);4-tert-butyl-1-methylpyrazole;1-tert-butyl-3-methyl-1,2,4-triazole;1-tert-butyl-4-methyltriazole;2-tert-butyl-4-methyltriazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(1-tert-butylpyrazole);4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;4-tert-butylpyrimidine;1-tert-butyltetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole
CID 168404439
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane
CID 157106927
1-benzofuran;diazinane;ethane;furan;1H-imidazole;methane;heptakis(2-methylhexane);1,2-oxazole;1H-pyrazole;1H-pyrrole
CID 157218069
2-tert-butylcyclopenta-1,3-diene;2-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butylfuran;1-tert-butylimidazole;bis(2-tert-butyl-1H-imidazole);2-tert-butyl-4H-imidazole;5-tert-butyl-1H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyltriazole;5-tert-butyl-1H-1,2,4-triazole;methane
CID 157271473
cumene;ethane;methane;1-methyl-4-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157289046
bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine
CID 157480726
2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole
CID 157490744
3,5-ditert-butyl-1H-1,2,4-triazole;3,5-dimethyl-1-propan-2-ylpyrazole;methane;2-methyl-1-propan-2-ylimidazole;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;5-propan-2-yl-2H-tetrazole
CID 157582259
4-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-3H-pyrrole;3-tert-butyl-5-methyl-1H-pyrazole
CID 157785991
5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-2,5-dimethyl-1,3-oxazole;2-tert-butyl-3-ethylfuran;5-tert-butyl-4-ethyl-2-methyl-1,3-oxazole;5-tert-butyl-4-ethyl-3-methyl-1,2-oxazole;4-tert-butyl-3-ethyl-1-methylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-3H-pyrrole
CID 157790182
bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;2,5-bis(2,2-dimethylpropyl)-1H-imidazole;1,3-bis(2,2-dimethylpropyl)pyrazole;3,5-bis(2,2-dimethylpropyl)-1H-pyrazole;1,3-bis(2,2-dimethylpropyl)pyrrole;2,4-bis(2,2-dimethylpropyl)-3H-pyrrole;1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;2,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole
CID 157868893
1-tert-butylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 157911311

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole?
The IUPAC name of 2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole (CID 159669688) is 2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole.
What is the SMILES notation for 2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole?
The canonical SMILES for 2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole is CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)(C)c1coc(C(C)(C)C)c1.CC(C)c1cnc(C(C)(C)C)[nH]1.
What is the InChIKey of 2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole?
The InChIKey is MTVNVLZMIATIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20O.3C11H20N2.2C11H19NO.C10H18N2/c2*1-11(2,3)9-7-10(13-8-9)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;3*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-7(2)8-6-11-9(12-8)10(3,4)5/h4*7-8H,1-6H3;7H,1-6H3,(H,12,13);2*7H,1-6H3;6-7H,1-5H3,(H,11,12).
What are the key properties of 2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole?
2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole has a molecular weight of 1430.29 g/mol, XLogP of 25.99, 1 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propan-2-yl-1H-imidazole;bis(2,4-ditert-butylfuran);1,4-ditert-butylimidazole;bis(3,5-ditert-butyl-1,2-oxazole);1,4-ditert-butylpyrazole;3,5-ditert-butyl-1H-pyrazole is sourced from PubChem (CID 159669688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).