1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine)

C78H150N18 — CID 157085236

About 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine)

1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine) (PubChem CID 157085236) has the molecular formula C78H150N18 and a molecular weight of 1340.18 g/mol. Its IUPAC name is 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine).

Molecular Properties

• Compound Name: 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine)
• PubChem CID: 157085236
• Molecular Formula: C78H150N18
• Molecular Weight: 1340.18 g/mol
• Exact Mass: 1339.23
• IUPAC Name: 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine)
• SMILES: CC(C)N1C=CCC1.CC(C)N1C=CCC1.CC(C)N1C=CNC1.CC(C)N1C=NCC1.CC(C)N1CC=CC1.CC(C)N1CCC=N1.CC(C)N1CCCC1.CC(C)N1CCCC1.CC(C)N1CCNC1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1
• InChI: InChI=1S/2C7H15N.3C7H13N.C7H11N.C6H14N2.2C6H12N2.C6H10N2.C6H12N2.C6H10N2/c6*1-7(2)8-5-3-4-6-8;4*1-6(2)8-4-3-7-5-8;2*1-6(2)8-5-3-4-7-8/h2*7H,3-6H2,1-2H3;2*3,5,7H,4,6H2,1-2H3;3-4,7H,5-6H2,1-2H3;3-7H,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6H,1-2H3;4,6H,3,5H2,1-2H3;3-6H,1-2H3
• InChIKey: ADZXFKMWGATBGY-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 118.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1340.18
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine)?

The IUPAC name of 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine) (CID 157085236) is 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine).

What is the SMILES notation for 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine)?

The canonical SMILES for 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine) is CC(C)N1C=CCC1.CC(C)N1C=CCC1.CC(C)N1C=CNC1.CC(C)N1C=NCC1.CC(C)N1CC=CC1.CC(C)N1CCC=N1.CC(C)N1CCCC1.CC(C)N1CCCC1.CC(C)N1CCNC1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.

What is the InChIKey of 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine)?

The InChIKey is ADZXFKMWGATBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N.3C7H13N.C7H11N.C6H14N2.2C6H12N2.C6H10N2.C6H12N2.C6H10N2/c6*1-7(2)8-5-3-4-6-8;4*1-6(2)8-4-3-7-5-8;2*1-6(2)8-5-3-4-7-8/h2*7H,3-6H2,1-2H3;2*3,5,7H,4,6H2,1-2H3;3-4,7H,5-6H2,1-2H3;3-7H,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-6H,1-2H3;4,6H,3,5H2,1-2H3;3-6H,1-2H3.

What are the key properties of 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine)?

1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine) has a molecular weight of 1340.18 g/mol, XLogP of 15.28, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;2-propan-2-yl-3,4-dihydropyrazole;bis(1-propan-2-yl-2,3-dihydropyrrole);1-propan-2-yl-2,5-dihydropyrrole;1-propan-2-ylimidazole;1-propan-2-ylimidazolidine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;bis(1-propan-2-ylpyrrolidine) is sourced from PubChem (CID 157085236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).