methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride

C34H41ClN4O5 — CID 70694460

About methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride

methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride (PubChem CID 70694460) has the molecular formula C34H41ClN4O5 and a molecular weight of 621.18 g/mol. Its IUPAC name is methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride.

Molecular Properties

• Compound Name: methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride
• PubChem CID: 70694460
• Molecular Formula: C34H41ClN4O5
• Molecular Weight: 621.18 g/mol
• Exact Mass: 620.28
• IUPAC Name: methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride
• SMILES: CCOc1ccccc1N1CCN(CCCN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1.Cl
• InChI: InChI=1S/C34H40N4O5.ClH/c1-4-43-30-19-12-11-18-29(30)36-24-22-35(23-25-36)20-13-21-37-33(41)38(26(2)31(39)42-3)32(40)34(37,27-14-7-5-8-15-27)28-16-9-6-10-17-28;/h5-12,14-19,26H,4,13,20-25H2,1-3H3;1H
• InChIKey: WFIKYOBEPGMXMM-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 82.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	621.18
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride?

The IUPAC name of methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride (CID 70694460) is methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride.

What is the SMILES notation for methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride?

The canonical SMILES for methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride is CCOc1ccccc1N1CCN(CCCN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1.Cl.

What is the InChIKey of methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride?

The InChIKey is WFIKYOBEPGMXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O5.ClH/c1-4-43-30-19-12-11-18-29(30)36-24-22-35(23-25-36)20-13-21-37-33(41)38(26(2)31(39)42-3)32(40)34(37,27-14-7-5-8-15-27)28-16-9-6-10-17-28;/h5-12,14-19,26H,4,13,20-25H2,1-3H3;1H.

What are the key properties of methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride?

methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride has a molecular weight of 621.18 g/mol, XLogP of 4.79, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]propanoate;hydrochloride is sourced from PubChem (CID 70694460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).