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

C25H30F2N4O — CID 18609310

IUPAC1-[2-[4-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CCN2CCN([C@H]3C[C@H](c4ccc(F)cc4)c4ccc(F)cc43)CC2)C1=O
InChIInChI=1S/C25H30F2N4O/c1-28-8-12-31(25(28)32)15-11-29-9-13-30(14-10-29)24-17-22(18-2-4-19(26)5-3-18)21-7-6-20(27)16-23(21)24/h2-7,16,22,24H,8-15,17H2,1H3/t22-,24+/m1/s1
InChIKeyOJVLTRBLPKFAOC-VWNXMTODSA-N
MW440.54 g/mol
LogP3.53
Rot. Bonds5

About 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

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 (PubChem CID 18609310) has the molecular formula C25H30F2N4O and a molecular weight of 440.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[2-[4-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-methylimidazolidin-2-one
PubChem CID18609310
Molecular FormulaC25H30F2N4O
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name1-[2-[4-[(1S,3R)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CCN2CCN([C@H]3C[C@H](c4ccc(F)cc4)c4ccc(F)cc43)CC2)C1=O
InChIInChI=1S/C25H30F2N4O/c1-28-8-12-31(25(28)32)15-11-29-9-13-30(14-10-29)24-17-22(18-2-4-19(26)5-3-18)21-7-6-20(27)16-23(21)24/h2-7,16,22,24H,8-15,17H2,1H3/t22-,24+/m1/s1
InChIKeyOJVLTRBLPKFAOC-VWNXMTODSA-N
XLogP3.53
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

Irindalone
CID 65845
4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10522247
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 51002992
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenylpyrrolidine-1-carboxamide
CID 6102825
(2R,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 51003118
(2R,4R)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 51003119
4-[3-(4-Fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10246528
1-(2-{4-[3-(4-Fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-one
CID 10319293
4-[7-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10570260
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCN(CCN2CCN([C@H]3C[C@H](c4ccc(F)cc4)c4ccc(F)cc43)CC2)C1=O.
What is the InChIKey of 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?
The InChIKey is OJVLTRBLPKFAOC-VWNXMTODSA-N. The full InChI is InChI=1S/C25H30F2N4O/c1-28-8-12-31(25(28)32)15-11-29-9-13-30(14-10-29)24-17-22(18-2-4-19(26)5-3-18)21-7-6-20(27)16-23(21)24/h2-7,16,22,24H,8-15,17H2,1H3/t22-,24+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 440.54 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 18609310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).