1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one

C23H24Cl2FN3O3 — CID 58393764

IUPAC1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(F)c(O[C@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3N3CC[C@@H](O)C3)c2)C1=O
InChIInChI=1S/C23H24Cl2FN3O3/c1-27-6-7-29(23(27)31)14-2-3-19(26)21(10-14)32-22-17-8-13(24)9-18(25)16(17)11-20(22)28-5-4-15(30)12-28/h2-3,8-10,15,20,22,30H,4-7,11-12H2,1H3/t15-,20+,22+/m1/s1
InChIKeyNOAXKDKCQSUEHK-PDXHDDNESA-N
MW480.37 g/mol
LogP4.12
Rot. Bonds4

About 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one

1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one (PubChem CID 58393764) has the molecular formula C23H24Cl2FN3O3 and a molecular weight of 480.37 g/mol. Its IUPAC name is 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one
PubChem CID58393764
Molecular FormulaC23H24Cl2FN3O3
Molecular Weight480.37 g/mol
Exact Mass479.12
IUPAC Name1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(F)c(O[C@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3N3CC[C@@H](O)C3)c2)C1=O
InChIInChI=1S/C23H24Cl2FN3O3/c1-27-6-7-29(23(27)31)14-2-3-19(26)21(10-14)32-22-17-8-13(24)9-18(25)16(17)11-20(22)28-5-4-15(30)12-28/h2-3,8-10,15,20,22,30H,4-7,11-12H2,1H3/t15-,20+,22+/m1/s1
InChIKeyNOAXKDKCQSUEHK-PDXHDDNESA-N
XLogP4.12
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one (CID 58393764) is 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one is CN1CCN(c2ccc(F)c(O[C@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3N3CC[C@@H](O)C3)c2)C1=O.
What is the InChIKey of 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one?
The InChIKey is NOAXKDKCQSUEHK-PDXHDDNESA-N. The full InChI is InChI=1S/C23H24Cl2FN3O3/c1-27-6-7-29(23(27)31)14-2-3-19(26)21(10-14)32-22-17-8-13(24)9-18(25)16(17)11-20(22)28-5-4-15(30)12-28/h2-3,8-10,15,20,22,30H,4-7,11-12H2,1H3/t15-,20+,22+/m1/s1.
What are the key properties of 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one?
1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one has a molecular weight of 480.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 58393764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).