4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole

C60H108N16O2S2 — CID 158942459

About 4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole

4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole (PubChem CID 158942459) has the molecular formula C60H108N16O2S2 and a molecular weight of 1149.77 g/mol. Its IUPAC name is 4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole.

Molecular Properties

• Compound Name: 4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole
• PubChem CID: 158942459
• Molecular Formula: C60H108N16O2S2
• Molecular Weight: 1149.77 g/mol
• Exact Mass: 1148.83
• IUPAC Name: 4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole
• SMILES: CC(C)C1=NC(C)(C)C(C)(C)N1.CC(C)C1=NC(C)(C)C(C)C(C)(C)N1.CC(C)c1nn[nH]n1.Cc1cnc(C(C)C)o1.Cc1cnc(C(C)C)s1.Cc1nc(C(C)C)[nH]c1C.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1
• InChI: InChI=1S/C12H24N2.C10H20N2.C8H14N2.C7H11NO.C7H11NS.C6H10N2O.C6H10N2S.C4H8N4/c1-8(2)10-13-11(4,5)9(3)12(6,7)14-10;1-7(2)8-11-9(3,4)10(5,6)12-8;1-5(2)8-9-6(3)7(4)10-8;2*1-5(2)7-8-4-6(3)9-7;2*1-4(2)6-8-7-5(3)9-6;1-3(2)4-5-7-8-6-4/h8-9H,1-7H3,(H,13,14);7H,1-6H3,(H,11,12);5H,1-4H3,(H,9,10);2*4-5H,1-3H3;2*4H,1-3H3;3H,1-2H3,(H,5,6,7,8)
• InChIKey: JKKOXEQZKQDCJS-UHFFFAOYSA-N
• XLogP: 15.66
• TPSA: 235.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1149.77
LogP ≤ 5	15.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole?

The IUPAC name of 4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole (CID 158942459) is 4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole.

What is the SMILES notation for 4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole?

The canonical SMILES for 4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole is CC(C)C1=NC(C)(C)C(C)(C)N1.CC(C)C1=NC(C)(C)C(C)C(C)(C)N1.CC(C)c1nn[nH]n1.Cc1cnc(C(C)C)o1.Cc1cnc(C(C)C)s1.Cc1nc(C(C)C)[nH]c1C.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.

What is the InChIKey of 4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole?

The InChIKey is JKKOXEQZKQDCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C10H20N2.C8H14N2.C7H11NO.C7H11NS.C6H10N2O.C6H10N2S.C4H8N4/c1-8(2)10-13-11(4,5)9(3)12(6,7)14-10;1-7(2)8-11-9(3,4)10(5,6)12-8;1-5(2)8-9-6(3)7(4)10-8;2*1-5(2)7-8-4-6(3)9-7;2*1-4(2)6-8-7-5(3)9-6;1-3(2)4-5-7-8-6-4/h8-9H,1-7H3,(H,13,14);7H,1-6H3,(H,11,12);5H,1-4H3,(H,9,10);2*4-5H,1-3H3;2*4H,1-3H3;3H,1-2H3,(H,5,6,7,8).

What are the key properties of 4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole?

4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole has a molecular weight of 1149.77 g/mol, XLogP of 15.66, 8 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-2-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-2-propan-2-yl-1,3-thiazole;4,4,5,6,6-pentamethyl-2-propan-2-yl-1,5-dihydropyrimidine;5-propan-2-yl-2H-tetrazole;4,4,5,5-tetramethyl-2-propan-2-yl-1H-imidazole is sourced from PubChem (CID 158942459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).