5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one

C27H24N4O2 — CID 141051162

About 5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one

5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one (PubChem CID 141051162) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one.

Molecular Properties

• Compound Name: 5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one
• PubChem CID: 141051162
• Molecular Formula: C27H24N4O2
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.19
• IUPAC Name: 5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one
• SMILES: CNCCCOc1ccc(-c2nc(-c3ccc4c(c3)C=CC4=O)c(-c3ccncc3)[nH]2)cc1
• InChI: InChI=1S/C27H24N4O2/c1-28-13-2-16-33-22-7-3-19(4-8-22)27-30-25(18-11-14-29-15-12-18)26(31-27)21-5-9-23-20(17-21)6-10-24(23)32/h3-12,14-15,17,28H,2,13,16H2,1H3,(H,30,31)
• InChIKey: SSFPXMZLLNCUQA-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one?

The IUPAC name of 5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one (CID 141051162) is 5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one.

What is the SMILES notation for 5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one?

The canonical SMILES for 5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one is CNCCCOc1ccc(-c2nc(-c3ccc4c(c3)C=CC4=O)c(-c3ccncc3)[nH]2)cc1.

What is the InChIKey of 5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one?

The InChIKey is SSFPXMZLLNCUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-28-13-2-16-33-22-7-3-19(4-8-22)27-30-25(18-11-14-29-15-12-18)26(31-27)21-5-9-23-20(17-21)6-10-24(23)32/h3-12,14-15,17,28H,2,13,16H2,1H3,(H,30,31).

What are the key properties of 5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one?

5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one has a molecular weight of 436.52 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[3-(methylamino)propoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]inden-1-one is sourced from PubChem (CID 141051162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).