5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

C20H19N3O2 — CID 3928273

IUPAC5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-13-6-8-14(9-7-13)12-23-19(24)18(22-20(23)25)10-15-11-21-17-5-3-2-4-16(15)17/h2-9,11,18,21H,10,12H2,1H3,(H,22,25)
InChIKeyXCJDWXKWELWSFI-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.14
Rot. Bonds4

About 5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 3928273) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID3928273
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-13-6-8-14(9-7-13)12-23-19(24)18(22-20(23)25)10-15-11-21-17-5-3-2-4-16(15)17/h2-9,11,18,21H,10,12H2,1H3,(H,22,25)
InChIKeyXCJDWXKWELWSFI-UHFFFAOYSA-N
XLogP3.14
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (CID 3928273) is 5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1ccc(CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1.
What is the InChIKey of 5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is XCJDWXKWELWSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-6-8-14(9-7-13)12-23-19(24)18(22-20(23)25)10-15-11-21-17-5-3-2-4-16(15)17/h2-9,11,18,21H,10,12H2,1H3,(H,22,25).
What are the key properties of 5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 333.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-ylmethyl)-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 3928273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).