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

C25H32Cl2F2N4O — CID 14208366

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

1-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]imidazolidin-2-one;dihydrochloride (PubChem CID 14208366) has the molecular formula C25H32Cl2F2N4O and a molecular weight of 513.46 g/mol. Its IUPAC name is 1-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]imidazolidin-2-one;dihydrochloride.

Molecular Properties

• Compound Name: 1-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]imidazolidin-2-one;dihydrochloride
• PubChem CID: 14208366
• Molecular Formula: C25H32Cl2F2N4O
• Molecular Weight: 513.46 g/mol
• Exact Mass: 512.19
• IUPAC Name: 1-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]imidazolidin-2-one;dihydrochloride
• SMILES: Cl.Cl.O=C1NCCN1CCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1
• InChI: InChI=1S/C25H30F2N4O.2ClH/c26-19-4-2-18(3-5-19)22-17-24(23-16-20(27)6-7-21(22)23)30-14-12-29(13-15-30)9-1-10-31-11-8-28-25(31)32;;/h2-7,16,22,24H,1,8-15,17H2,(H,28,32);2*1H
• InChIKey: NCJKGJSWWBRQGU-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 38.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.46
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 1-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]imidazolidin-2-one;dihydrochloride (CID 14208366) is 1-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]imidazolidin-2-one;dihydrochloride.

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

The canonical SMILES for 1-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]imidazolidin-2-one;dihydrochloride is Cl.Cl.O=C1NCCN1CCCN1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1.

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

The InChIKey is NCJKGJSWWBRQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O.2ClH/c26-19-4-2-18(3-5-19)22-17-24(23-16-20(27)6-7-21(22)23)30-14-12-29(13-15-30)9-1-10-31-11-8-28-25(31)32;;/h2-7,16,22,24H,1,8-15,17H2,(H,28,32);2*1H.

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

1-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]imidazolidin-2-one;dihydrochloride has a molecular weight of 513.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]imidazolidin-2-one;dihydrochloride is sourced from PubChem (CID 14208366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).