1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one

C24H29FN4O — CID 139637068

IUPAC1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCNC([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)C1
InChIInChI=1S/C24H29FN4O/c25-18-7-5-17(6-8-18)21-15-22(20-4-2-1-3-19(20)21)23-16-28(11-9-26-23)13-14-29-12-10-27-24(29)30/h1-8,21-23,26H,9-16H2,(H,27,30)/t21-,22+,23?/m0/s1
InChIKeyGOGRDDWHWUUOTA-ZVTBYLAHSA-N
MW408.52 g/mol
LogP2.74
Rot. Bonds5

About 1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one

1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 139637068) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
PubChem CID139637068
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCNC([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)C1
InChIInChI=1S/C24H29FN4O/c25-18-7-5-17(6-8-18)21-15-22(20-4-2-1-3-19(20)21)23-16-28(11-9-26-23)13-14-29-12-10-27-24(29)30/h1-8,21-23,26H,9-16H2,(H,27,30)/t21-,22+,23?/m0/s1
InChIKeyGOGRDDWHWUUOTA-ZVTBYLAHSA-N
XLogP2.74
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one (CID 139637068) is 1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCNC([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)C1.
What is the InChIKey of 1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is GOGRDDWHWUUOTA-ZVTBYLAHSA-N. The full InChI is InChI=1S/C24H29FN4O/c25-18-7-5-17(6-8-18)21-15-22(20-4-2-1-3-19(20)21)23-16-28(11-9-26-23)13-14-29-12-10-27-24(29)30/h1-8,21-23,26H,9-16H2,(H,27,30)/t21-,22+,23?/m0/s1.
What are the key properties of 1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 408.52 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(1R,3S)-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 139637068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).