1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride

C26H34Cl2F2N4O — CID 14208354

About 1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride

1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride (PubChem CID 14208354) has the molecular formula C26H34Cl2F2N4O and a molecular weight of 527.49 g/mol. Its IUPAC name is 1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride.

Molecular Properties

• Compound Name: 1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride
• PubChem CID: 14208354
• Molecular Formula: C26H34Cl2F2N4O
• Molecular Weight: 527.49 g/mol
• Exact Mass: 526.21
• IUPAC Name: 1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride
• SMILES: CCN1CCN(CCN2CCN(C3CC(c4ccc(F)cc4)c4ccc(F)cc43)CC2)C1=O.Cl.Cl
• InChI: InChI=1S/C26H32F2N4O.2ClH/c1-2-30-15-16-32(26(30)33)14-11-29-9-12-31(13-10-29)25-18-23(19-3-5-20(27)6-4-19)22-8-7-21(28)17-24(22)25;;/h3-8,17,23,25H,2,9-16,18H2,1H3;2*1H
• InChIKey: ALMWLSSHOVMBMM-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 30.03 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.49
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride?

The IUPAC name of 1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride (CID 14208354) is 1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride.

What is the SMILES notation for 1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride?

The canonical SMILES for 1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride is CCN1CCN(CCN2CCN(C3CC(c4ccc(F)cc4)c4ccc(F)cc43)CC2)C1=O.Cl.Cl.

What is the InChIKey of 1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride?

The InChIKey is ALMWLSSHOVMBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O.2ClH/c1-2-30-15-16-32(26(30)33)14-11-29-9-12-31(13-10-29)25-18-23(19-3-5-20(27)6-4-19)22-8-7-21(28)17-24(22)25;;/h3-8,17,23,25H,2,9-16,18H2,1H3;2*1H.

What are the key properties of 1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride?

1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride has a molecular weight of 527.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one;dihydrochloride is sourced from PubChem (CID 14208354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).