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

C25H22N4O4 — CID 46933694

IUPAC(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(C)c4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H22N4O4/c1-15-11-17(9-10-26-15)16-3-6-19(7-4-16)25(23(31)27-24(32)28-25)14-29-13-18-5-8-20(33-2)12-21(18)22(29)30/h3-12H,13-14H2,1-2H3,(H2,27,28,31,32)/t25-/m0/s1
InChIKeyHGPPYGXNQCWPLJ-VWLOTQADSA-N
MW442.48 g/mol
LogP2.76
Rot. Bonds5

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

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione (PubChem CID 46933694) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione
PubChem CID46933694
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(C)c4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H22N4O4/c1-15-11-17(9-10-26-15)16-3-6-19(7-4-16)25(23(31)27-24(32)28-25)14-29-13-18-5-8-20(33-2)12-21(18)22(29)30/h3-12H,13-14H2,1-2H3,(H2,27,28,31,32)/t25-/m0/s1
InChIKeyHGPPYGXNQCWPLJ-VWLOTQADSA-N
XLogP2.76
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione (CID 46933694) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(C)c4)cc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is HGPPYGXNQCWPLJ-VWLOTQADSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-15-11-17(9-10-26-15)16-3-6-19(7-4-16)25(23(31)27-24(32)28-25)14-29-13-18-5-8-20(33-2)12-21(18)22(29)30/h3-12H,13-14H2,1-2H3,(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-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 442.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46933694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).