1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one

C199H369N25O6S — CID 158352457

IUPAC1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one
SMILESCC(C)(C)C1=C(C(C)(C)C)C(=O)N(C(C)(C)C)C1=O.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1nc(C(C)(C)C)n(C(C)(C)C)n1.CC(C)(C)c1nc(C(C)(C)C)n(C(C)(C)C)n1.CC(C)(C)c1nn(C(C)(C)C)c(=O)n1C(C)(C)C.Cc1c(C(C)(C)C)c(C(C)(C)C)nn1C(C)(C)C.Cc1c(C(C)(C)C)c(C(C)(C)C)nn1C(C)(C)C.Cc1c(C(C)(C)C)n(C(C)(C)C)c(=O)n1C(C)(C)C.Cc1c(C(C)(C)C)nc(C(C)(C)C)n1C(C)(C)C.Cc1c(C(C)(C)C)nn(C(C)(C)C)c1C(C)(C)C.Cc1c(C(C)(C)C)nn(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C16H30N2O.5C16H30N2.C16H27NO2.2C15H27NO.C15H27NS.C14H27N3O.2C14H27N3/c1-11-12(14(2,3)4)18(16(8,9)10)13(19)17(11)15(5,6)7;1-11-12(14(2,3)4)17-13(15(5,6)7)18(11)16(8,9)10;2*1-11-12(14(2,3)4)13(15(5,6)7)17-18(11)16(8,9)10;2*1-11-12(14(2,3)4)17-18(16(8,9)10)13(11)15(5,6)7;1-14(2,3)10-11(15(4,5)6)13(19)17(12(10)18)16(7,8)9;3*1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;1-12(2,3)10-15-17(14(7,8)9)11(18)16(10)13(4,5)6;2*1-12(2,3)10-15-11(13(4,5)6)17(16-10)14(7,8)9/h1-10H3;5*1-10H3;1-9H3;3*1-9H3;1-9H3;2*1-9H3
InChIKeyGSMGOOLZIVUTTO-UHFFFAOYSA-N
MW3240.38 g/mol
LogP54.29
Rot. Bonds

About 1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one

1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one (PubChem CID 158352457) has the molecular formula C199H369N25O6S and a molecular weight of 3240.38 g/mol. Its IUPAC name is 1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one
PubChem CID158352457
Molecular FormulaC199H369N25O6S
Molecular Weight3240.38 g/mol
Exact Mass3237.91
IUPAC Name1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one
SMILESCC(C)(C)C1=C(C(C)(C)C)C(=O)N(C(C)(C)C)C1=O.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1nc(C(C)(C)C)n(C(C)(C)C)n1.CC(C)(C)c1nc(C(C)(C)C)n(C(C)(C)C)n1.CC(C)(C)c1nn(C(C)(C)C)c(=O)n1C(C)(C)C.Cc1c(C(C)(C)C)c(C(C)(C)C)nn1C(C)(C)C.Cc1c(C(C)(C)C)c(C(C)(C)C)nn1C(C)(C)C.Cc1c(C(C)(C)C)n(C(C)(C)C)c(=O)n1C(C)(C)C.Cc1c(C(C)(C)C)nc(C(C)(C)C)n1C(C)(C)C.Cc1c(C(C)(C)C)nn(C(C)(C)C)c1C(C)(C)C.Cc1c(C(C)(C)C)nn(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C16H30N2O.5C16H30N2.C16H27NO2.2C15H27NO.C15H27NS.C14H27N3O.2C14H27N3/c1-11-12(14(2,3)4)18(16(8,9)10)13(19)17(11)15(5,6)7;1-11-12(14(2,3)4)17-13(15(5,6)7)18(11)16(8,9)10;2*1-11-12(14(2,3)4)13(15(5,6)7)17-18(11)16(8,9)10;2*1-11-12(14(2,3)4)17-18(16(8,9)10)13(11)15(5,6)7;1-14(2,3)10-11(15(4,5)6)13(19)17(12(10)18)16(7,8)9;3*1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;1-12(2,3)10-15-17(14(7,8)9)11(18)16(10)13(4,5)6;2*1-12(2,3)10-15-11(13(4,5)6)17(16-10)14(7,8)9/h1-10H3;5*1-10H3;1-9H3;3*1-9H3;1-9H3;2*1-9H3
InChIKeyGSMGOOLZIVUTTO-UHFFFAOYSA-N
XLogP54.29
TPSA319.60 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003240.38
LogP ≤ 554.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one with MolForge

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Related Compounds

Bis(1,5-dimethyl-2,4-di(propan-2-yl)imidazole);1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;bis(2,4-dimethyl-3,5-di(propan-2-yl)thiophene);3,4-dimethyl-2,5-di(propan-2-yl)thiophene;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-oxazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);bis(1,2,4-trimethyl-3,5-di(propan-2-yl)pyrrole);1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole
CID 157392256
1,2,3,4,5-Pentamethylpyrrole;tris(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 157558308
5-Tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene
CID 158142311
4,5-Ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole
CID 159341173
4,5-Ditert-butyl-1,2-dimethylimidazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;3,4-ditert-butyl-1-methyl-5-methylidene-1,2,4-triazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;2,4-ditert-butyl-5-methyl-1,3-thiazole;4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;4,5-ditert-butyl-2-methyltriazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane
CID 159398741
1,2,4,5-Tetramethylimidazole;bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2,4-triazole
CID 159531703
1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-2-methyl-4H-imidazol-3-ium-5-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one
CID 160035081
Bis(1,2,3,4,5-pentamethylpyrrole);tris(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 160111833
Bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);tris(1,3,5-trimethyl-1,2,4-triazole);3,4,5-trimethyl-1,2,4-triazole
CID 161057366
1,2,3,4,5-Pentamethylimidazol-1-ium;1,2,3,4,5-pentamethylpyrrole;tris(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole
CID 161232679
1,2,3,4,5-Pentamethylimidazol-1-ium;1,2,3,4,5-pentamethylpyrrole;tris(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
CID 161450496
5-Tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene;methane
CID 162185764

Frequently Asked Questions

What is the IUPAC name of 1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one?
The IUPAC name of 1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one (CID 158352457) is 1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one.
What is the SMILES notation for 1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one?
The canonical SMILES for 1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one is CC(C)(C)C1=C(C(C)(C)C)C(=O)N(C(C)(C)C)C1=O.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)o1.CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)s1.CC(C)(C)c1nc(C(C)(C)C)n(C(C)(C)C)n1.CC(C)(C)c1nc(C(C)(C)C)n(C(C)(C)C)n1.CC(C)(C)c1nn(C(C)(C)C)c(=O)n1C(C)(C)C.Cc1c(C(C)(C)C)c(C(C)(C)C)nn1C(C)(C)C.Cc1c(C(C)(C)C)c(C(C)(C)C)nn1C(C)(C)C.Cc1c(C(C)(C)C)n(C(C)(C)C)c(=O)n1C(C)(C)C.Cc1c(C(C)(C)C)nc(C(C)(C)C)n1C(C)(C)C.Cc1c(C(C)(C)C)nn(C(C)(C)C)c1C(C)(C)C.Cc1c(C(C)(C)C)nn(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one?
The InChIKey is GSMGOOLZIVUTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.5C16H30N2.C16H27NO2.2C15H27NO.C15H27NS.C14H27N3O.2C14H27N3/c1-11-12(14(2,3)4)18(16(8,9)10)13(19)17(11)15(5,6)7;1-11-12(14(2,3)4)17-13(15(5,6)7)18(11)16(8,9)10;2*1-11-12(14(2,3)4)13(15(5,6)7)17-18(11)16(8,9)10;2*1-11-12(14(2,3)4)17-18(16(8,9)10)13(11)15(5,6)7;1-14(2,3)10-11(15(4,5)6)13(19)17(12(10)18)16(7,8)9;3*1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;1-12(2,3)10-15-17(14(7,8)9)11(18)16(10)13(4,5)6;2*1-12(2,3)10-15-11(13(4,5)6)17(16-10)14(7,8)9/h1-10H3;5*1-10H3;1-9H3;3*1-9H3;1-9H3;2*1-9H3.
What are the key properties of 1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one?
1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one has a molecular weight of 3240.38 g/mol, XLogP of 54.29, 0 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tritert-butyl-5-methylimidazole;1,3,4-tritert-butyl-5-methylimidazol-2-one;bis(1,3,4-tritert-butyl-5-methylpyrazole);bis(1,3,5-tritert-butyl-4-methylpyrazole);bis(2,4,5-tritert-butyl-1,3-oxazole);1,3,4-tritert-butylpyrrole-2,5-dione;2,4,5-tritert-butyl-1,3-thiazole;bis(1,3,5-tritert-butyl-1,2,4-triazole);2,4,5-tritert-butyl-1,2,4-triazol-3-one is sourced from PubChem (CID 158352457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).