1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;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;1-propan-2-ylpyrrolidine

C58H110N14 — CID 158673493

About 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;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;1-propan-2-ylpyrrolidine

1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;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;1-propan-2-ylpyrrolidine (PubChem CID 158673493) has the molecular formula C58H110N14 and a molecular weight of 1003.62 g/mol. Its IUPAC name is 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;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;1-propan-2-ylpyrrolidine.

Molecular Properties

• Compound Name: 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;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;1-propan-2-ylpyrrolidine
• PubChem CID: 158673493
• Molecular Formula: C58H110N14
• Molecular Weight: 1003.62 g/mol
• Exact Mass: 1002.90
• IUPAC Name: 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;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;1-propan-2-ylpyrrolidine
• SMILES: CC(C)N1C=CCC1.CC(C)N1C=CNC1.CC(C)N1C=NCC1.CC(C)N1CC=CC1.CC(C)N1CCCC1.CC(C)N1CCNC1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1
• InChI: InChI=1S/C7H15N.2C7H13N.C7H11N.C6H14N2.2C6H12N2.2C6H10N2/c4*1-7(2)8-5-3-4-6-8;4*1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8/h7H,3-6H2,1-2H3;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;2*3-6H,1-2H3
• InChIKey: IEFSADIEZXPESQ-UHFFFAOYSA-N
• XLogP: 11.09
• TPSA: 96.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1003.62
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

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;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;1-propan-2-ylpyrrolidine?

The IUPAC name of 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;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;1-propan-2-ylpyrrolidine (CID 158673493) is 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;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;1-propan-2-ylpyrrolidine.

What is the SMILES notation for 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;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;1-propan-2-ylpyrrolidine?

The canonical SMILES for 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;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;1-propan-2-ylpyrrolidine is CC(C)N1C=CCC1.CC(C)N1C=CNC1.CC(C)N1C=NCC1.CC(C)N1CC=CC1.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;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;1-propan-2-ylpyrrolidine?

The InChIKey is IEFSADIEZXPESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.2C7H13N.C7H11N.C6H14N2.2C6H12N2.2C6H10N2/c4*1-7(2)8-5-3-4-6-8;4*1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8/h7H,3-6H2,1-2H3;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;2*3-6H,1-2H3.

What are the key properties of 1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;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;1-propan-2-ylpyrrolidine?

1-propan-2-yl-4,5-dihydroimidazole;3-propan-2-yl-1,2-dihydroimidazole;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;1-propan-2-ylpyrrolidine has a molecular weight of 1003.62 g/mol, XLogP of 11.09, 9 rotatable bonds, 2 hydrogen bond donors, and 14 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;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;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158673493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).