5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole

C29H28N4 — CID 163720949

About 5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole

5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole (PubChem CID 163720949) has the molecular formula C29H28N4 and a molecular weight of 432.57 g/mol. Its IUPAC name is 5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

• Compound Name: 5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole
• PubChem CID: 163720949
• Molecular Formula: C29H28N4
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.23
• IUPAC Name: 5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole
• SMILES: Cc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(N5CCCCC5)cc4)[nH]3)c2c1
• InChI: InChI=1S/C29H28N4/c1-20-10-15-26-24(18-20)25(19-30-26)29-31-27(21-8-4-2-5-9-21)28(32-29)22-11-13-23(14-12-22)33-16-6-3-7-17-33/h2,4-5,8-15,18-19,30H,3,6-7,16-17H2,1H3,(H,31,32)
• InChIKey: KRNMSGUUXXOMLJ-UHFFFAOYSA-N
• XLogP: 7.19
• TPSA: 47.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole?

The IUPAC name of 5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole (CID 163720949) is 5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole.

What is the SMILES notation for 5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole?

The canonical SMILES for 5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole is Cc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc(N5CCCCC5)cc4)[nH]3)c2c1.

What is the InChIKey of 5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole?

The InChIKey is KRNMSGUUXXOMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4/c1-20-10-15-26-24(18-20)25(19-30-26)29-31-27(21-8-4-2-5-9-21)28(32-29)22-11-13-23(14-12-22)33-16-6-3-7-17-33/h2,4-5,8-15,18-19,30H,3,6-7,16-17H2,1H3,(H,31,32).

What are the key properties of 5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole?

5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole has a molecular weight of 432.57 g/mol, XLogP of 7.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[4-phenyl-5-(4-piperidin-1-ylphenyl)-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 163720949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).