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

C27H36Cl2F2N4O — CID 14208356

IUPAC1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride
SMILESCC(C)N1CCN(CCN2CCN(C3CC(c4ccc(F)cc4)c4ccc(F)cc43)CC2)C1=O.Cl.Cl
InChIInChI=1S/C27H34F2N4O.2ClH/c1-19(2)33-16-15-32(27(33)34)14-11-30-9-12-31(13-10-30)26-18-24(20-3-5-21(28)6-4-20)23-8-7-22(29)17-25(23)26;;/h3-8,17,19,24,26H,9-16,18H2,1-2H3;2*1H
InChIKeyALXXINHGAKKRSC-UHFFFAOYSA-N
MW541.51 g/mol
LogP5.15
Rot. Bonds6

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

1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride (PubChem CID 14208356) has the molecular formula C27H36Cl2F2N4O and a molecular weight of 541.51 g/mol. Its IUPAC name is 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride
PubChem CID14208356
Molecular FormulaC27H36Cl2F2N4O
Molecular Weight541.51 g/mol
Exact Mass540.22
IUPAC Name1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride
SMILESCC(C)N1CCN(CCN2CCN(C3CC(c4ccc(F)cc4)c4ccc(F)cc43)CC2)C1=O.Cl.Cl
InChIInChI=1S/C27H34F2N4O.2ClH/c1-19(2)33-16-15-32(27(33)34)14-11-30-9-12-31(13-10-30)26-18-24(20-3-5-21(28)6-4-20)23-8-7-22(29)17-25(23)26;;/h3-8,17,19,24,26H,9-16,18H2,1-2H3;2*1H
InChIKeyALXXINHGAKKRSC-UHFFFAOYSA-N
XLogP5.15
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.51
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride with MolForge

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Related Compounds

Irindalone
CID 65845
1-(2-{4-[3-(4-Fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-one
CID 10319293
1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-methyl-piperazine
CID 13154762
1-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
CID 13154764
1-(2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-one
CID 14208342
1-(2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethyl)-3-methyl-imidazolidin-2-one
CID 14208352
1-[2-[4-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-methylimidazolidin-2-one
CID 18609310
1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine;dihydrochloride
CID 20463003
1-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
CID 22826279
1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-methylimidazolidin-2-one;dihydrochloride
CID 14208351
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
3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride
CID 14208358

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride?
The IUPAC name of 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride (CID 14208356) is 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride.
What is the SMILES notation for 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride?
The canonical SMILES for 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride is CC(C)N1CCN(CCN2CCN(C3CC(c4ccc(F)cc4)c4ccc(F)cc43)CC2)C1=O.Cl.Cl.
What is the InChIKey of 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride?
The InChIKey is ALXXINHGAKKRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2N4O.2ClH/c1-19(2)33-16-15-32(27(33)34)14-11-30-9-12-31(13-10-30)26-18-24(20-3-5-21(28)6-4-20)23-8-7-22(29)17-25(23)26;;/h3-8,17,19,24,26H,9-16,18H2,1-2H3;2*1H.
What are the key properties of 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride?
1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride has a molecular weight of 541.51 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one;dihydrochloride is sourced from PubChem (CID 14208356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).