1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole

C96H152N28O4S — CID 160513232

About 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole

1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole (PubChem CID 160513232) has the molecular formula C96H152N28O4S and a molecular weight of 1794.53 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole
• PubChem CID: 160513232
• Molecular Formula: C96H152N28O4S
• Molecular Weight: 1794.53 g/mol
• Exact Mass: 1793.23
• IUPAC Name: 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole
• SMILES: CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cnc[nH]1.CC(C)c1cocn1.CC(C)c1cocn1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncon1.CC(C)c1nn[nH]n1
• InChI: InChI=1S/C10H12N2.4C7H12N2.C7H10N2.3C6H10N2.3C6H9NO.C6H9NS.C5H8N2O.C4H8N4/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)7-4-9(3)5-8-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;2*1-5(2)6-3-8-4-7-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-8-7-5;1-3(2)4-5-7-8-6-4/h3-7H,1-2H3,(H,11,12);4*4-6H,1-3H3;3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;3-4H,1-2H3;3H,1-2H3,(H,5,6,7,8)
• InChIKey: QTHVVZZUVYLWLD-UHFFFAOYSA-N
• XLogP: 24.24
• TPSA: 396.14 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1794.53
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole?

The IUPAC name of 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole (CID 160513232) is 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole.

What is the SMILES notation for 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole?

The canonical SMILES for 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole is CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1cn(C)cn1.CC(C)c1cnc[nH]1.CC(C)c1cocn1.CC(C)c1cocn1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncon1.CC(C)c1nn[nH]n1.

What is the InChIKey of 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole?

The InChIKey is QTHVVZZUVYLWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.4C7H12N2.C7H10N2.3C6H10N2.3C6H9NO.C6H9NS.C5H8N2O.C4H8N4/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)7-4-9(3)5-8-7;1-6(2)7-8-4-5-9(7)3;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;2*1-5(2)6-3-8-4-7-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-8-7-5;1-3(2)4-5-7-8-6-4/h3-7H,1-2H3,(H,11,12);4*4-6H,1-3H3;3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;3-4H,1-2H3;3H,1-2H3,(H,5,6,7,8).

What are the key properties of 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole?

1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 1794.53 g/mol, XLogP of 24.24, 15 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrimidine;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160513232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).