tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole)

C69H124N14 — CID 157479184

IUPACtris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole)
SMILESCc1cn(C(C)C)c(C)n1.Cc1nc(C(C)C)c(C)n1C(C)C.Cc1nc(C(C)C)c(C)n1C(C)C.Cc1nc(C(C)C)c(C)n1C(C)C.Cc1nc(C(C)C)cn1C(C)C.Cc1nc(C)n(C(C)C)c1C.Cc1nc(C)n(C(C)C)c1C
InChIInChI=1S/3C11H20N2.C10H18N2.2C9H16N2.C8H14N2/c3*1-7(2)11-9(5)13(8(3)4)10(6)12-11;1-7(2)10-6-12(8(3)4)9(5)11-10;2*1-6(2)11-8(4)7(3)10-9(11)5;1-6(2)10-5-7(3)9-8(10)4/h3*7-8H,1-6H3;6-8H,1-5H3;2*6H,1-5H3;5-6H,1-4H3
InChIKeyBVYNDPUKKWUUOB-UHFFFAOYSA-N
MW1149.85 g/mol
LogP19.37
Rot. Bonds11

About tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole)

tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole) (PubChem CID 157479184) has the molecular formula C69H124N14 and a molecular weight of 1149.85 g/mol. Its IUPAC name is tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole).

Molecular Properties

Compound Nametris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole)
PubChem CID157479184
Molecular FormulaC69H124N14
Molecular Weight1149.85 g/mol
Exact Mass1149.01
IUPAC Nametris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole)
SMILESCc1cn(C(C)C)c(C)n1.Cc1nc(C(C)C)c(C)n1C(C)C.Cc1nc(C(C)C)c(C)n1C(C)C.Cc1nc(C(C)C)c(C)n1C(C)C.Cc1nc(C(C)C)cn1C(C)C.Cc1nc(C)n(C(C)C)c1C.Cc1nc(C)n(C(C)C)c1C
InChIInChI=1S/3C11H20N2.C10H18N2.2C9H16N2.C8H14N2/c3*1-7(2)11-9(5)13(8(3)4)10(6)12-11;1-7(2)10-6-12(8(3)4)9(5)11-10;2*1-6(2)11-8(4)7(3)10-9(11)5;1-6(2)10-5-7(3)9-8(10)4/h3*7-8H,1-6H3;6-8H,1-5H3;2*6H,1-5H3;5-6H,1-4H3
InChIKeyBVYNDPUKKWUUOB-UHFFFAOYSA-N
XLogP19.37
TPSA124.74 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001149.85
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole)?
The IUPAC name of tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole) (CID 157479184) is tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole).
What is the SMILES notation for tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole)?
The canonical SMILES for tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole) is Cc1cn(C(C)C)c(C)n1.Cc1nc(C(C)C)c(C)n1C(C)C.Cc1nc(C(C)C)c(C)n1C(C)C.Cc1nc(C(C)C)c(C)n1C(C)C.Cc1nc(C(C)C)cn1C(C)C.Cc1nc(C)n(C(C)C)c1C.Cc1nc(C)n(C(C)C)c1C.
What is the InChIKey of tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole)?
The InChIKey is BVYNDPUKKWUUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H20N2.C10H18N2.2C9H16N2.C8H14N2/c3*1-7(2)11-9(5)13(8(3)4)10(6)12-11;1-7(2)10-6-12(8(3)4)9(5)11-10;2*1-6(2)11-8(4)7(3)10-9(11)5;1-6(2)10-5-7(3)9-8(10)4/h3*7-8H,1-6H3;6-8H,1-5H3;2*6H,1-5H3;5-6H,1-4H3.
What are the key properties of tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole)?
tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole) has a molecular weight of 1149.85 g/mol, XLogP of 19.37, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole) is sourced from PubChem (CID 157479184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).