methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C117H186N22O2S4 — CID 158789481

About methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 158789481) has the molecular formula C117H186N22O2S4 and a molecular weight of 2061.19 g/mol. Its IUPAC name is methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• PubChem CID: 158789481
• Molecular Formula: C117H186N22O2S4
• Molecular Weight: 2061.19 g/mol
• Exact Mass: 2059.40
• IUPAC Name: methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
• SMILES: C.CC(C)C1=CCC=N1.CC(C)C1=CCN=C1.CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)C1=NCN=C1.CC(C)c1ccc[nH]1.CC(C)c1cccs1.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1nccs1
• InChI: InChI=1S/7C7H11N.C7H10S.5C6H10N2.2C6H9NO.3C6H9NS.CH4/c2*1-6(2)7-3-4-8-5-7;6*1-6(2)7-4-3-5-8-7;4*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;/h2*3,5-6H,4H2,1-2H3;4-6H,3H2,1-2H3;3*3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3,5H,4H2,1-2H3;4*3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;1H4
• InChIKey: ISCAGDMBFVLPMS-UHFFFAOYSA-N
• XLogP: 33.57
• TPSA: 320.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2061.19
LogP ≤ 5	33.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The IUPAC name of methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 158789481) is methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

What is the SMILES notation for methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The canonical SMILES for methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is C.CC(C)C1=CCC=N1.CC(C)C1=CCN=C1.CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)C1=NCN=C1.CC(C)c1ccc[nH]1.CC(C)c1cccs1.CC(C)c1ccno1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1nccs1.

What is the InChIKey of methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

The InChIKey is ISCAGDMBFVLPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/7C7H11N.C7H10S.5C6H10N2.2C6H9NO.3C6H9NS.CH4/c2*1-6(2)7-3-4-8-5-7;6*1-6(2)7-4-3-5-8-7;4*1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;/h2*3,5-6H,4H2,1-2H3;4-6H,3H2,1-2H3;3*3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3,5H,4H2,1-2H3;4*3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;1H4.

What are the key properties of methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?

methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 2061.19 g/mol, XLogP of 33.57, 18 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-2H-imidazole;tris(5-propan-2-yl-1H-imidazole);5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;bis(4-propan-2-yl-2H-pyrrole);tris(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 158789481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).