1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidine-2-thione

C24H28F2N4S — CID 14208327

IUPAC1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidine-2-thione
SMILESFc1ccc(C2CC(N3CCN(CCN4CCNC4=S)CC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C24H28F2N4S/c25-18-3-1-17(2-4-18)21-16-23(22-15-19(26)5-6-20(21)22)29-12-9-28(10-13-29)11-14-30-8-7-27-24(30)31/h1-6,15,21,23H,7-14,16H2,(H,27,31)
InChIKeyHLRUIZCWWSCWOZ-UHFFFAOYSA-N
MW442.58 g/mol
LogP3.35
Rot. Bonds5

About 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidine-2-thione

1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidine-2-thione (PubChem CID 14208327) has the molecular formula C24H28F2N4S and a molecular weight of 442.58 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]imidazolidine-2-thione.

Molecular Properties

Compound Name1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidine-2-thione
PubChem CID14208327
Molecular FormulaC24H28F2N4S
Molecular Weight442.58 g/mol
Exact Mass442.20
IUPAC Name1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidine-2-thione
SMILESFc1ccc(C2CC(N3CCN(CCN4CCNC4=S)CC3)c3cc(F)ccc32)cc1
InChIInChI=1S/C24H28F2N4S/c25-18-3-1-17(2-4-18)21-16-23(22-15-19(26)5-6-20(21)22)29-12-9-28(10-13-29)11-14-30-8-7-27-24(30)31/h1-6,15,21,23H,7-14,16H2,(H,27,31)
InChIKeyHLRUIZCWWSCWOZ-UHFFFAOYSA-N
XLogP3.35
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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]imidazolidine-2-thione?
The IUPAC name of 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidine-2-thione (CID 14208327) is 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidine-2-thione.
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]imidazolidine-2-thione?
The canonical SMILES for 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidine-2-thione is Fc1ccc(C2CC(N3CCN(CCN4CCNC4=S)CC3)c3cc(F)ccc32)cc1.
What is the InChIKey of 1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidine-2-thione?
The InChIKey is HLRUIZCWWSCWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4S/c25-18-3-1-17(2-4-18)21-16-23(22-15-19(26)5-6-20(21)22)29-12-9-28(10-13-29)11-14-30-8-7-27-24(30)31/h1-6,15,21,23H,7-14,16H2,(H,27,31).
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]imidazolidine-2-thione?
1-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidine-2-thione has a molecular weight of 442.58 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 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]imidazolidine-2-thione is sourced from PubChem (CID 14208327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).