2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)

C108H174N32O3S — CID 158879041

About 2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)

2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole) (PubChem CID 158879041) has the molecular formula C108H174N32O3S and a molecular weight of 2000.87 g/mol. Its IUPAC name is 2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: 2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)
• PubChem CID: 158879041
• Molecular Formula: C108H174N32O3S
• Molecular Weight: 2000.87 g/mol
• Exact Mass: 1999.42
• IUPAC Name: 2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)
• SMILES: CC(C)C1=NC(CN)=CC1.CC(C)C1=NCC=C1.CC(C)C1=NCC=N1.CC(C)C1=NN=CC1.CC(C)N1CCNC1=O.CC(C)c1ccccn1.CC(C)c1ccn[nH]1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1nccc(=O)[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.CC(C)n1cccn1
• InChI: InChI=1S/C8H14N2.C8H11N.C7H10N2O.2C7H10N2.C7H11N.C6H12N2O.6C6H10N2.C6H9NO.C6H9NS.2C5H9N3/c1-6(2)8-4-3-7(5-9)10-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-8-4-3-6(10)9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-7;1-5(2)8-4-3-7-6(8)9;2*1-6(2)8-5-3-4-7-8;2*1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5/h3,6H,4-5,9H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H,8,9,10);2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;5H,3-4H2,1-2H3,(H,7,9);2*3-6H,1-2H3;3,5H,4H2,1-2H3;3-5H,1-2H3,(H,7,8);4-5H,3H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8)
• InChIKey: JCUOFINSVMFLPK-UHFFFAOYSA-N
• XLogP: 24.21
• TPSA: 457.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2000.87
LogP ≤ 5	24.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)?

The IUPAC name of 2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole) (CID 158879041) is 2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole).

What is the SMILES notation for 2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)?

The canonical SMILES for 2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole) is CC(C)C1=NC(CN)=CC1.CC(C)C1=NCC=C1.CC(C)C1=NCC=N1.CC(C)C1=NN=CC1.CC(C)N1CCNC1=O.CC(C)c1ccccn1.CC(C)c1ccn[nH]1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1nccc(=O)[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.CC(C)n1cccn1.

What is the InChIKey of 2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)?

The InChIKey is JCUOFINSVMFLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C8H11N.C7H10N2O.2C7H10N2.C7H11N.C6H12N2O.6C6H10N2.C6H9NO.C6H9NS.2C5H9N3/c1-6(2)8-4-3-7(5-9)10-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-8-4-3-6(10)9-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-7;1-5(2)8-4-3-7-6(8)9;2*1-6(2)8-5-3-4-7-8;2*1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;2*1-4(2)5-6-3-7-8-5/h3,6H,4-5,9H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H,8,9,10);2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;5H,3-4H2,1-2H3,(H,7,9);2*3-6H,1-2H3;3,5H,4H2,1-2H3;3-5H,1-2H3,(H,7,8);4-5H,3H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8).

What are the key properties of 2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)?

2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole) has a molecular weight of 2000.87 g/mol, XLogP of 24.21, 18 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole) is sourced from PubChem (CID 158879041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).