bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole)

C73H120N14O2S3 — CID 158237495

IUPACbis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole)
SMILESCC(C)(C)C1=CCC=N1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/2C8H14N2.C8H13N.2C7H12N2.2C7H11NO.3C7H11NS/c1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-4-6-9-7;7*1-7(2,3)6-8-4-5-9-6/h2*5-6H,1-4H3;5-6H,4H2,1-3H3;2*4H,5H2,1-3H3;5*4-5H,1-3H3
InChIKeyGFDKAIRELTUJFJ-UHFFFAOYSA-N
MW1322.06 g/mol
LogP20.12
Rot. Bonds

About bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole)

bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole) (PubChem CID 158237495) has the molecular formula C73H120N14O2S3 and a molecular weight of 1322.06 g/mol. Its IUPAC name is bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole).

Molecular Properties

Compound Namebis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole)
PubChem CID158237495
Molecular FormulaC73H120N14O2S3
Molecular Weight1322.06 g/mol
Exact Mass1320.89
IUPAC Namebis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole)
SMILESCC(C)(C)C1=CCC=N1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/2C8H14N2.C8H13N.2C7H12N2.2C7H11NO.3C7H11NS/c1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-4-6-9-7;7*1-7(2,3)6-8-4-5-9-6/h2*5-6H,1-4H3;5-6H,4H2,1-3H3;2*4H,5H2,1-3H3;5*4-5H,1-3H3
InChIKeyGFDKAIRELTUJFJ-UHFFFAOYSA-N
XLogP20.12
TPSA188.17 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001322.06
LogP ≤ 520.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole) with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-5-ethyl-1H-imidazole;4-tert-butyl-2H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole
CID 157587931
1,2-Dimethylimidazole;1,4-dimethylimidazole;ethane;1-methylimidazole;bis(4-methyl-1,3-oxazole);bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;tris(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole
CID 157897141
bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole
CID 158097709
ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158242661
4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole
CID 158383278
2,5-dimethyl-1,3,4-thiadiazole;ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158642507
ethane;2-propan-2-yl-1H-imidazole;bis(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-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158826376
2,4-Dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole
CID 159104812
5-tert-butyl-1H-imidazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1,2,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 159607577
2,4-Dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);1-methylimidazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole
CID 159980714
ethane;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 160245914
2-tert-butyl-5-ethyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;3-tert-butyl-1,2,5-thiadiazole;4-tert-butyl-1,3-thiazole;2,5-ditert-butyl-1H-imidazole;2,4-ditert-butyl-1,3-oxazole
CID 160521823

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole)?
The IUPAC name of bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole) (CID 158237495) is bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole).
What is the SMILES notation for bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole)?
The canonical SMILES for bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole) is CC(C)(C)C1=CCC=N1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.
What is the InChIKey of bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole)?
The InChIKey is GFDKAIRELTUJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2.C8H13N.2C7H12N2.2C7H11NO.3C7H11NS/c1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-4-6-9-7;7*1-7(2,3)6-8-4-5-9-6/h2*5-6H,1-4H3;5-6H,4H2,1-3H3;2*4H,5H2,1-3H3;5*4-5H,1-3H3.
What are the key properties of bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole)?
bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole) has a molecular weight of 1322.06 g/mol, XLogP of 20.12, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-4H-imidazole);2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-tert-butyl-1,3-oxazole);5-tert-butyl-3H-pyrrole;tris(2-tert-butyl-1,3-thiazole) is sourced from PubChem (CID 158237495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).