1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol

C31H36N4O — CID 67738731

About 1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol

1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol (PubChem CID 67738731) has the molecular formula C31H36N4O and a molecular weight of 480.66 g/mol. Its IUPAC name is 1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol.

Molecular Properties

• Compound Name: 1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol
• PubChem CID: 67738731
• Molecular Formula: C31H36N4O
• Molecular Weight: 480.66 g/mol
• Exact Mass: 480.29
• IUPAC Name: 1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol
• SMILES: CCc1[nH]c(-c2ccccc2C)nc1C(O)C(C(c1ccccc1)c1ccccc1)N1CCNCC1
• InChI: InChI=1S/C31H36N4O/c1-3-26-28(34-31(33-26)25-17-11-10-12-22(25)2)30(36)29(35-20-18-32-19-21-35)27(23-13-6-4-7-14-23)24-15-8-5-9-16-24/h4-17,27,29-30,32,36H,3,18-21H2,1-2H3,(H,33,34)
• InChIKey: UCPIGCZXKROGHV-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 64.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.66
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol?

The IUPAC name of 1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol (CID 67738731) is 1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol.

What is the SMILES notation for 1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol?

The canonical SMILES for 1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol is CCc1[nH]c(-c2ccccc2C)nc1C(O)C(C(c1ccccc1)c1ccccc1)N1CCNCC1.

What is the InChIKey of 1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol?

The InChIKey is UCPIGCZXKROGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O/c1-3-26-28(34-31(33-26)25-17-11-10-12-22(25)2)30(36)29(35-20-18-32-19-21-35)27(23-13-6-4-7-14-23)24-15-8-5-9-16-24/h4-17,27,29-30,32,36H,3,18-21H2,1-2H3,(H,33,34).

What are the key properties of 1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol?

1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol has a molecular weight of 480.66 g/mol, XLogP of 5.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-ethyl-2-(2-methylphenyl)-1H-imidazol-4-yl]-3,3-diphenyl-2-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 67738731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).