2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole

C45H78N8O2S — CID 159487581

IUPAC2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole
SMILESCC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)n1C.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C10H18N2.C9H16N2.C9H15NO.C9H15NS.C8H14N2O/c1-7(2)9-6-11-10(8(3)4)12(9)5;3*1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4/h6-8H,1-5H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3;5-6H,1-4H3
InChIKeyLXTSWKUVGAUVBQ-UHFFFAOYSA-N
MW795.24 g/mol
LogP13.95
Rot. Bonds10

About 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole

2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole (PubChem CID 159487581) has the molecular formula C45H78N8O2S and a molecular weight of 795.24 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole
PubChem CID159487581
Molecular FormulaC45H78N8O2S
Molecular Weight795.24 g/mol
Exact Mass794.60
IUPAC Name2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole
SMILESCC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)n1C.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C10H18N2.C9H16N2.C9H15NO.C9H15NS.C8H14N2O/c1-7(2)9-6-11-10(8(3)4)12(9)5;3*1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4/h6-8H,1-5H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3;5-6H,1-4H3
InChIKeyLXTSWKUVGAUVBQ-UHFFFAOYSA-N
XLogP13.95
TPSA124.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.24
LogP ≤ 513.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole?
The IUPAC name of 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole (CID 159487581) is 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole.
What is the SMILES notation for 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole?
The canonical SMILES for 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole is CC(C)c1cnc(C(C)C)[nH]1.CC(C)c1cnc(C(C)C)n1C.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.CC(C)c1nnc(C(C)C)o1.
What is the InChIKey of 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole?
The InChIKey is LXTSWKUVGAUVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C9H16N2.C9H15NO.C9H15NS.C8H14N2O/c1-7(2)9-6-11-10(8(3)4)12(9)5;3*1-6(2)8-5-10-9(11-8)7(3)4;1-5(2)7-9-10-8(11-7)6(3)4/h6-8H,1-5H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3;5-6H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole?
2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole has a molecular weight of 795.24 g/mol, XLogP of 13.95, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-thiazole;1-methyl-2,5-di(propan-2-yl)imidazole is sourced from PubChem (CID 159487581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).