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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;1-methyl-2,5-di(propan-2-yl)imidazole

C59H117N11O2S — CID 159819157

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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;1-methyl-2,5-di(propan-2-yl)imidazole
SMILESC.C.C.C.C.C.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)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C10H18N2.C9H16N2.C9H15NO.C9H15NS.C8H15N3.C8H14N2O.6CH4/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)7-9-8(6(3)4)11-10-7;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,(H,9,10,11);5-6H,1-4H3;6*1H4
InChIKeyNLZVDPMZORIHNW-UHFFFAOYSA-N
MW1044.73 g/mol
LogP19.82
Rot. Bonds12

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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;1-methyl-2,5-di(propan-2-yl)imidazole (PubChem CID 159819157) has the molecular formula C59H117N11O2S and a molecular weight of 1044.73 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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;1-methyl-2,5-di(propan-2-yl)imidazole
PubChem CID159819157
Molecular FormulaC59H117N11O2S
Molecular Weight1044.73 g/mol
Exact Mass1043.91
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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;1-methyl-2,5-di(propan-2-yl)imidazole
SMILESC.C.C.C.C.C.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)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C10H18N2.C9H16N2.C9H15NO.C9H15NS.C8H15N3.C8H14N2O.6CH4/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)7-9-8(6(3)4)11-10-7;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,(H,9,10,11);5-6H,1-4H3;6*1H4
InChIKeyNLZVDPMZORIHNW-UHFFFAOYSA-N
XLogP19.82
TPSA165.91 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001044.73
LogP ≤ 519.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;1-methyl-2,5-di(propan-2-yl)imidazole (CID 159819157) 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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;1-methyl-2,5-di(propan-2-yl)imidazole is C.C.C.C.C.C.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)c1n[nH]c(C(C)C)n1.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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;1-methyl-2,5-di(propan-2-yl)imidazole?
The InChIKey is NLZVDPMZORIHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C9H16N2.C9H15NO.C9H15NS.C8H15N3.C8H14N2O.6CH4/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)7-9-8(6(3)4)11-10-7;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,(H,9,10,11);5-6H,1-4H3;6*1H4.
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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;1-methyl-2,5-di(propan-2-yl)imidazole has a molecular weight of 1044.73 g/mol, XLogP of 19.82, 12 rotatable bonds, 2 hydrogen bond donors, and 12 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;3,5-di(propan-2-yl)-1H-1,2,4-triazole;methane;1-methyl-2,5-di(propan-2-yl)imidazole is sourced from PubChem (CID 159819157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).