1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane

C26H36N6O2 — CID 155748065

About 1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane

1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane (PubChem CID 155748065) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane.

Molecular Properties

• Compound Name: 1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane
• PubChem CID: 155748065
• Molecular Formula: C26H36N6O2
• Molecular Weight: 464.61 g/mol
• Exact Mass: 464.29
• IUPAC Name: 1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane
• SMILES: CCCOCCC.Cc1ccc(N2CCN(c3cccc(-c4nncn4C(C)C)n3)C2=O)cc1
• InChI: InChI=1S/C20H22N6O.C6H14O/c1-14(2)26-13-21-23-19(26)17-5-4-6-18(22-17)25-12-11-24(20(25)27)16-9-7-15(3)8-10-16;1-3-5-7-6-4-2/h4-10,13-14H,11-12H2,1-3H3;3-6H2,1-2H3
• InChIKey: KDUJGWCTBLCLLQ-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 76.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.61
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane?

The IUPAC name of 1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane (CID 155748065) is 1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane.

What is the SMILES notation for 1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane?

The canonical SMILES for 1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane is CCCOCCC.Cc1ccc(N2CCN(c3cccc(-c4nncn4C(C)C)n3)C2=O)cc1.

What is the InChIKey of 1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane?

The InChIKey is KDUJGWCTBLCLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O.C6H14O/c1-14(2)26-13-21-23-19(26)17-5-4-6-18(22-17)25-12-11-24(20(25)27)16-9-7-15(3)8-10-16;1-3-5-7-6-4-2/h4-10,13-14H,11-12H2,1-3H3;3-6H2,1-2H3.

What are the key properties of 1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane?

1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane has a molecular weight of 464.61 g/mol, XLogP of 5.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane is sourced from PubChem (CID 155748065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).