bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole

C92H160N14O — CID 159069356

IUPACbis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole
SMILESCC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1nccn1C(C)(C)C.CC(C)(C)c1nccn1C(C)(C)C.CC(C)(C)c1nccnc1C(C)(C)C.CC(C)(C)c1ncnn1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C
InChIInChI=1S/2C13H21N.C12H20N2.3C11H20N2.C11H19NO.C10H19N3/c2*1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-11(2,3)9-10(12(4,5)6)14-8-7-13-9;1-10(2,3)8-9(11(4,5)6)13-7-12-8;2*1-10(2,3)9-12-7-8-13(9)11(4,5)6;1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-9(2,3)8-11-7-12-13(8)10(4,5)6/h2*7-9H,1-6H3;7-8H,1-6H3;7H,1-6H3,(H,12,13);2*7-8H,1-6H3;2*7H,1-6H3
InChIKeyJZLKHVUOHSKMGZ-UHFFFAOYSA-N
MW1478.39 g/mol
LogP24.90
Rot. Bonds

About bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole

bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole (PubChem CID 159069356) has the molecular formula C92H160N14O and a molecular weight of 1478.39 g/mol. Its IUPAC name is bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole.

Molecular Properties

Compound Namebis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole
PubChem CID159069356
Molecular FormulaC92H160N14O
Molecular Weight1478.39 g/mol
Exact Mass1477.29
IUPAC Namebis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole
SMILESCC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1nccn1C(C)(C)C.CC(C)(C)c1nccn1C(C)(C)C.CC(C)(C)c1nccnc1C(C)(C)C.CC(C)(C)c1ncnn1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C
InChIInChI=1S/2C13H21N.C12H20N2.3C11H20N2.C11H19NO.C10H19N3/c2*1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-11(2,3)9-10(12(4,5)6)14-8-7-13-9;1-10(2,3)8-9(11(4,5)6)13-7-12-8;2*1-10(2,3)9-12-7-8-13(9)11(4,5)6;1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-9(2,3)8-11-7-12-13(8)10(4,5)6/h2*7-9H,1-6H3;7-8H,1-6H3;7H,1-6H3,(H,12,13);2*7-8H,1-6H3;2*7H,1-6H3
InChIKeyJZLKHVUOHSKMGZ-UHFFFAOYSA-N
XLogP24.90
TPSA172.62 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001478.39
LogP ≤ 524.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane
CID 157159563
2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157205327
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole
CID 157740950
3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-1,3-oxazol-2-amine;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridazin-3-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
CID 158546153
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
CID 159295876
4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyridine;3,4-ditert-butylpyridine;4,5-ditert-butylpyrimidine;1H-imidazole
CID 159575416
4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);4,5-ditert-butyl-1H-pyrazole;bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1,2,5-thiadiazole;methane
CID 160341572
1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole
CID 160822651
1-benzyl-4-[[(1-benzylimidazol-4-yl)methyltetrasulfanyl]methyl]imidazole;3-[(benzyltetrasulfanyl)methyl]pyridine;2-ethyl-5-[[(5-ethyl-2-pyridinyl)methyltetrasulfanyl]methyl]pyridine;5-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1H-imidazole;4-[(3H-pyrrol-5-ylmethyltetrasulfanyl)methyl]-1,3-oxazole;5-[(3H-1,2,4-triazol-5-ylmethyltetrasulfanyl)methyl]-2H-tetrazole
CID 160870138
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
CID 161003538
1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
CID 161743534
4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);4,5-ditert-butyl-1H-pyrazole;bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1,2,5-thiadiazole
CID 161775852

Frequently Asked Questions

What is the IUPAC name of bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole?
The IUPAC name of bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole (CID 159069356) is bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole.
What is the SMILES notation for bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole?
The canonical SMILES for bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole is CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1cccnc1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1nccn1C(C)(C)C.CC(C)(C)c1nccn1C(C)(C)C.CC(C)(C)c1nccnc1C(C)(C)C.CC(C)(C)c1ncnn1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C.
What is the InChIKey of bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole?
The InChIKey is JZLKHVUOHSKMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N.C12H20N2.3C11H20N2.C11H19NO.C10H19N3/c2*1-12(2,3)10-8-7-9-14-11(10)13(4,5)6;1-11(2,3)9-10(12(4,5)6)14-8-7-13-9;1-10(2,3)8-9(11(4,5)6)13-7-12-8;2*1-10(2,3)9-12-7-8-13(9)11(4,5)6;1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-9(2,3)8-11-7-12-13(8)10(4,5)6/h2*7-9H,1-6H3;7-8H,1-6H3;7H,1-6H3,(H,12,13);2*7-8H,1-6H3;2*7H,1-6H3.
What are the key properties of bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole?
bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole has a molecular weight of 1478.39 g/mol, XLogP of 24.90, 0 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole is sourced from PubChem (CID 159069356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).