(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione

C25H22N4O5 — CID 24888848

IUPAC(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(OCc4cccnc4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H22N4O5/c1-33-20-7-4-17-13-29(22(30)21(17)11-20)15-25(23(31)27-24(32)28-25)18-5-8-19(9-6-18)34-14-16-3-2-10-26-12-16/h2-12H,13-15H2,1H3,(H2,27,28,31,32)/t25-/m0/s1
InChIKeyBWRLDZKUBVGMPF-VWLOTQADSA-N
MW458.47 g/mol
LogP2.36
Rot. Bonds7

About (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 24888848) has the molecular formula C25H22N4O5 and a molecular weight of 458.47 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID24888848
Molecular FormulaC25H22N4O5
Molecular Weight458.47 g/mol
Exact Mass458.16
IUPAC Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(OCc4cccnc4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H22N4O5/c1-33-20-7-4-17-13-29(22(30)21(17)11-20)15-25(23(31)27-24(32)28-25)18-5-8-19(9-6-18)34-14-16-3-2-10-26-12-16/h2-12H,13-15H2,1H3,(H2,27,28,31,32)/t25-/m0/s1
InChIKeyBWRLDZKUBVGMPF-VWLOTQADSA-N
XLogP2.36
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
5-[4-[hydroxy(methoxy)amino]phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 126748420
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-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
CID 24889697
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
(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-[4-(3-methylsulfonylphenyl)phenyl]imidazolidine-2,4-dione
CID 24871753
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-methylbenzimidazol-2-yl)imidazolidine-2,4-dione
CID 24888849
(5S)-5-[2-(5-methoxy-3-oxo-1H-isoindol-2-yl)ethyl]-5-(4-pyridin-2-ylphenyl)imidazolidine-2,4-dione
CID 154514133
N-[5-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-3-pyridinyl]propane-2-sulfonamide
CID 70889587
5-(1-benzofuran-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 76680334

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione (CID 24888848) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(OCc4cccnc4)cc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is BWRLDZKUBVGMPF-VWLOTQADSA-N. The full InChI is InChI=1S/C25H22N4O5/c1-33-20-7-4-17-13-29(22(30)21(17)11-20)15-25(23(31)27-24(32)28-25)18-5-8-19(9-6-18)34-14-16-3-2-10-26-12-16/h2-12H,13-15H2,1H3,(H2,27,28,31,32)/t25-/m0/s1.
What are the key properties of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 458.47 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(pyridin-3-ylmethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24888848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).