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

C23H21N5O4 — CID 24889700

IUPAC5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3cccc(-c4cnc(C)[nH]4)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H21N5O4/c1-13-24-10-19(25-13)14-4-3-5-16(8-14)23(21(30)26-22(31)27-23)12-28-11-15-6-7-17(32-2)9-18(15)20(28)29/h3-10H,11-12H2,1-2H3,(H,24,25)(H2,26,27,30,31)
InChIKeyXQENCQSXEUCBOJ-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.08
Rot. Bonds5

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

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 24889700) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
PubChem CID24889700
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3cccc(-c4cnc(C)[nH]4)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H21N5O4/c1-13-24-10-19(25-13)14-4-3-5-16(8-14)23(21(30)26-22(31)27-23)12-28-11-15-6-7-17(32-2)9-18(15)20(28)29/h3-10H,11-12H2,1-2H3,(H,24,25)(H2,26,27,30,31)
InChIKeyXQENCQSXEUCBOJ-UHFFFAOYSA-N
XLogP2.08
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-3-yl)phenyl)imidazolidine-2,4-dione
CID 46934000
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(pyrazin-2-yl)imidazolidine-2,4-dione
CID 46881608
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(2-methylpyridin-4-yl)phenyl)imidazolidine-2,4-dione
CID 46933694
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-2-yl)phenyl)imidazolidine-2,4-dione
CID 49865044
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-4-yl)phenyl)imidazolidine-2,4-dione
CID 49865045
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyrimidin-5-yl)phenyl)imidazolidine-2,4-dione
CID 49865107
(R)-5-((3H-imidazo[4,5-b]pyridin-6-yl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52941225
(R)-5-((1H-indol-5-yl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52941303
(R)-5-((1H-indol-6-yl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52942531
(R)-5-((1H-benzo[d]imidazol-5-yl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 52947420
(R)-5-((6-((4-ethylpiperazin-1-yl)(hydroxyimino)methyl)pyridin-3-yl)ethynyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 136032622
(R)-5-(4-(2-aminopyridin-4-yl)phenyl)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 49865046

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 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) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3cccc(-c4cnc(C)[nH]4)c3)NC(=O)NC1=O)C2.
What is the InChIKey of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is XQENCQSXEUCBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-13-24-10-19(25-13)14-4-3-5-16(8-14)23(21(30)26-22(31)27-23)12-28-11-15-6-7-17(32-2)9-18(15)20(28)29/h3-10H,11-12H2,1-2H3,(H,24,25)(H2,26,27,30,31).
What are the key properties of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione?
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 431.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24889700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).