(5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione

C25H22N4O4 — CID 154514133

IUPAC(5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC[C@@]1(c3ccc(-c4ccccn4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H22N4O4/c1-33-19-10-7-17-15-29(22(30)20(17)14-19)13-11-25(23(31)27-24(32)28-25)18-8-5-16(6-9-18)21-4-2-3-12-26-21/h2-10,12,14H,11,13,15H2,1H3,(H2,27,28,31,32)/t25-/m0/s1
InChIKeyWUTPOWIJCGXTQI-VWLOTQADSA-N
MW442.48 g/mol
LogP2.84
Rot. Bonds6

About (5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione

(5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 154514133) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is (5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione
PubChem CID154514133
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name(5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC[C@@]1(c3ccc(-c4ccccn4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H22N4O4/c1-33-19-10-7-17-15-29(22(30)20(17)14-19)13-11-25(23(31)27-24(32)28-25)18-8-5-16(6-9-18)21-4-2-3-12-26-21/h2-10,12,14H,11,13,15H2,1H3,(H2,27,28,31,32)/t25-/m0/s1
InChIKeyWUTPOWIJCGXTQI-VWLOTQADSA-N
XLogP2.84
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 46881522
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 143512854
(5R)-5-(4-fluorophenyl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyrazol-1-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1,3-thiazol-2-yl)phenyl]imidazolidine-2,4-dione
CID 159701567
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
CID 24889697
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione
CID 24888848
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione
CID 24888849
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione
CID 24871753
5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 126748420
(5S)-5-[(6-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 11717287
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methyl-2-pyridinyl)imidazolidine-2,4-dione
CID 71176706
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 24889700
(5R)-5-[(5-aminooxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-quinolin-8-ylphenyl)imidazolidine-2,4-dione
CID 71176740

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione (CID 154514133) is (5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC[C@@]1(c3ccc(-c4ccccn4)cc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is WUTPOWIJCGXTQI-VWLOTQADSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-33-19-10-7-17-15-29(22(30)20(17)14-19)13-11-25(23(31)27-24(32)28-25)18-8-5-16(6-9-18)21-4-2-3-12-26-21/h2-10,12,14H,11,13,15H2,1H3,(H2,27,28,31,32)/t25-/m0/s1.
What are the key properties of (5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione?
(5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 442.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 154514133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).