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

C24H22N4O4 — CID 39968933

IUPAC(5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H22N4O4/c29-21(15-7-9-17(10-8-15)27-11-3-6-22(27)30)14-28-23(31)20(26-24(28)32)12-16-13-25-19-5-2-1-4-18(16)19/h1-2,4-5,7-10,13,20,25H,3,6,11-12,14H2,(H,26,32)/t20-/m0/s1
InChIKeyZFKWMGOHZHERLA-FQEVSTJZSA-N
MW430.46 g/mol
LogP2.64
Rot. Bonds6

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

(5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione (PubChem CID 39968933) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is (5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione
PubChem CID39968933
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name(5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H22N4O4/c29-21(15-7-9-17(10-8-15)27-11-3-6-22(27)30)14-28-23(31)20(26-24(28)32)12-16-13-25-19-5-2-1-4-18(16)19/h1-2,4-5,7-10,13,20,25H,3,6,11-12,14H2,(H,26,32)/t20-/m0/s1
InChIKeyZFKWMGOHZHERLA-FQEVSTJZSA-N
XLogP2.64
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 41037352
N-cycloheptyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51556304
N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27644488
(5S)-3-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 40953381
(5S)-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 6598972
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4879495
N-cyclohexyl-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 47003752
N-cyclohexyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 51420730
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 47003741
N-cyclohexyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 51556220
4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 24606105
N-[(2R)-butan-2-yl]-N-[(2S)-butan-2-yl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51556366

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione (CID 39968933) is (5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of (5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione?
The InChIKey is ZFKWMGOHZHERLA-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H22N4O4/c29-21(15-7-9-17(10-8-15)27-11-3-6-22(27)30)14-28-23(31)20(26-24(28)32)12-16-13-25-19-5-2-1-4-18(16)19/h1-2,4-5,7-10,13,20,25H,3,6,11-12,14H2,(H,26,32)/t20-/m0/s1.
What are the key properties of (5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione?
(5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione has a molecular weight of 430.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1H-indol-3-ylmethyl)-3-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 39968933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).