(4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C24H20N2O5 — CID 42051789

IUPAC(4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C24H20N2O5/c27-21-12-16(17-10-14-4-3-5-15(14)11-20(17)31-21)13-26-22(28)24(25-23(26)29)8-9-30-19-7-2-1-6-18(19)24/h1-2,6-7,10-12H,3-5,8-9,13H2,(H,25,29)/t24-/m0/s1
InChIKeyFZJNFZZTRWADOK-DEOSSOPVSA-N
MW416.43 g/mol
LogP3.01
Rot. Bonds2

About (4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 42051789) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is (4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID42051789
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name(4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C24H20N2O5/c27-21-12-16(17-10-14-4-3-5-15(14)11-20(17)31-21)13-26-22(28)24(25-23(26)29)8-9-30-19-7-2-1-6-18(19)24/h1-2,6-7,10-12H,3-5,8-9,13H2,(H,25,29)/t24-/m0/s1
InChIKeyFZJNFZZTRWADOK-DEOSSOPVSA-N
XLogP3.01
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-3-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]imidazolidine-2,4-dione
CID 7266374
(4S)-3'-[(2-chlorophenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2516578
2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]isoindole-1,3-dione
CID 4825946
3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17405515
(4R)-3'-[(5-chloroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 38867015
3'-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 78539491
(4R)-3'-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41096525
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
(4R)-3'-[(2-bromo-4,5-diethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41096337
3'-[(5-chloro-2-methoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17411522
(4S)-3'-[(5-fluoroquinolin-8-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 31905671
(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 42051789) is (4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1cc(=O)oc2cc3c(cc12)CCC3.
What is the InChIKey of (4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is FZJNFZZTRWADOK-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20N2O5/c27-21-12-16(17-10-14-4-3-5-15(14)11-20(17)31-21)13-26-22(28)24(25-23(26)29)8-9-30-19-7-2-1-6-18(19)24/h1-2,6-7,10-12H,3-5,8-9,13H2,(H,25,29)/t24-/m0/s1.
What are the key properties of (4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
(4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 416.43 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 42051789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).