5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione

C22H19N5O4 — CID 4966560

IUPAC5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CN(C(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c2ccccc2N1
InChIInChI=1S/C22H19N5O4/c28-19-11-26(18-8-4-3-7-16(18)24-19)20(29)12-27-21(30)17(25-22(27)31)9-13-10-23-15-6-2-1-5-14(13)15/h1-8,10,17,23H,9,11-12H2,(H,24,28)(H,25,31)
InChIKeyLCYUNILMQLZFDY-UHFFFAOYSA-N
MW417.43 g/mol
LogP1.62
Rot. Bonds4

About 5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione

5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 4966560) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is 5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID4966560
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC Name5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESO=C1CN(C(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c2ccccc2N1
InChIInChI=1S/C22H19N5O4/c28-19-11-26(18-8-4-3-7-16(18)24-19)20(29)12-27-21(30)17(25-22(27)31)9-13-10-23-15-6-2-1-5-14(13)15/h1-8,10,17,23H,9,11-12H2,(H,24,28)(H,25,31)
InChIKeyLCYUNILMQLZFDY-UHFFFAOYSA-N
XLogP1.62
TPSA114.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(1H-indol-3-ylmethyl)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2442754
(5S)-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 6598972
N-cycloheptyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51556304
(5R)-3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 40943178
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2470027
N-cyclohexyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 51420730
N-cyclohexyl-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 47003752
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 47003741
N-(1-adamantyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4204555
N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 51556220
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 7640114
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 3473430

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione (CID 4966560) is 5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione is O=C1CN(C(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c2ccccc2N1.
What is the InChIKey of 5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is LCYUNILMQLZFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c28-19-11-26(18-8-4-3-7-16(18)24-19)20(29)12-27-21(30)17(25-22(27)31)9-13-10-23-15-6-2-1-5-14(13)15/h1-8,10,17,23H,9,11-12H2,(H,24,28)(H,25,31).
What are the key properties of 5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione?
5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 417.43 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 4966560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).