bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane

C92H174N22O3S2 — CID 161233854

IUPACbis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane
SMILESC.C.C.C.C.C.C.C.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)(C)n1cccn1.CC(C)(C)n1nccn1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nnc(C(C)(C)C)o1.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C8H14N2.C7H13N3.C7H12N2O.4C7H12N2.2C7H11NO.2C7H11NS.C6H11N3.8CH4/c1-8(2,3)7-9-5-6-10(7)4;1-5-8-6(10-9-5)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)9-6-4-5-8-9;4*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-7-4-5-8-9;;;;;;;;/h5-6H,1-4H3;1-4H3,(H,8,9,10);1-4H3;2*4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;5*4-5H,1-3H3;8*1H4
InChIKeyUZCMJRLAWRKNLF-UHFFFAOYSA-N
MW1700.69 g/mol
LogP26.44
Rot. Bonds

About bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane

bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane (PubChem CID 161233854) has the molecular formula C92H174N22O3S2 and a molecular weight of 1700.69 g/mol. Its IUPAC name is bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane.

Molecular Properties

Compound Namebis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane
PubChem CID161233854
Molecular FormulaC92H174N22O3S2
Molecular Weight1700.69 g/mol
Exact Mass1699.36
IUPAC Namebis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane
SMILESC.C.C.C.C.C.C.C.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)(C)n1cccn1.CC(C)(C)n1nccn1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nnc(C(C)(C)C)o1.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C8H14N2.C7H13N3.C7H12N2O.4C7H12N2.2C7H11NO.2C7H11NS.C6H11N3.8CH4/c1-8(2,3)7-9-5-6-10(7)4;1-5-8-6(10-9-5)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)9-6-4-5-8-9;4*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-7-4-5-8-9;;;;;;;;/h5-6H,1-4H3;1-4H3,(H,8,9,10);1-4H3;2*4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;5*4-5H,1-3H3;8*1H4
InChIKeyUZCMJRLAWRKNLF-UHFFFAOYSA-N
XLogP26.44
TPSA299.86 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001700.69
LogP ≤ 526.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane with MolForge

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Related Compounds

ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1H-pyrazole
CID 157476081
nonakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;pyrrolidine;2H-tetrazole;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157676733
bis(1H-imidazole);bis(1,2,4-oxadiazole);1,3,4-oxadiazole;bis(1,3-oxazole);tris(1H-pyrazole);1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1H-1,2,4-triazole
CID 158264419
1H-imidazole;1,3,4-oxadiazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;1H-1,2,4-triazole
CID 158531802
2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
CID 158943608
2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;2-tert-butyltriazole;5-tert-butyl-1H-1,2,4-triazole
CID 160245427
bis(1-methylimidazole);3-methyl-1H-imidazol-3-ium;1-methylpyrazole;bis(1,3-oxazole);bis(1,3-thiazole)
CID 160964073
methane;bis(1-methylimidazole);3-methyl-1H-imidazol-3-ium;1-methylpyrazole;bis(1,3-oxazole);bis(1,3-thiazole)
CID 161154361
1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 161294783
1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole
CID 161438290
2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;1-methylpyrazole;2-methylpyrimidine;2-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
CID 161801903
ethane;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole
CID 161979659

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane?
The IUPAC name of bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane (CID 161233854) is bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane.
What is the SMILES notation for bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane?
The canonical SMILES for bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane is C.C.C.C.C.C.C.C.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)c1nccs1.CC(C)(C)n1cccn1.CC(C)(C)n1cccn1.CC(C)(C)n1nccn1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nnc(C(C)(C)C)o1.Cn1ccnc1C(C)(C)C.
What is the InChIKey of bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane?
The InChIKey is UZCMJRLAWRKNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C7H13N3.C7H12N2O.4C7H12N2.2C7H11NO.2C7H11NS.C6H11N3.8CH4/c1-8(2,3)7-9-5-6-10(7)4;1-5-8-6(10-9-5)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;2*1-7(2,3)6-8-4-5-9-6;2*1-7(2,3)9-6-4-5-8-9;4*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-7-4-5-8-9;;;;;;;;/h5-6H,1-4H3;1-4H3,(H,8,9,10);1-4H3;2*4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;5*4-5H,1-3H3;8*1H4.
What are the key properties of bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane?
bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane has a molecular weight of 1700.69 g/mol, XLogP of 26.44, 0 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-1H-imidazole);2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;bis(2-tert-butyl-1,3-oxazole);bis(1-tert-butylpyrazole);bis(2-tert-butyl-1,3-thiazole);2-tert-butyltriazole;methane is sourced from PubChem (CID 161233854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).