5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C21H19N3O3 — CID 25098653

IUPAC5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(C(c2ccccc2)c2c[nH]c3ccccc23)C(=O)N(C)C1=O
InChIInChI=1S/C21H19N3O3/c1-23-19(25)18(20(26)24(2)21(23)27)17(13-8-4-3-5-9-13)15-12-22-16-11-7-6-10-14(15)16/h3-12,17-18,22H,1-2H3
InChIKeyXWCFLLSYVUXGIG-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.97
Rot. Bonds3

About 5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 25098653) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID25098653
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(C(c2ccccc2)c2c[nH]c3ccccc23)C(=O)N(C)C1=O
InChIInChI=1S/C21H19N3O3/c1-23-19(25)18(20(26)24(2)21(23)27)17(13-8-4-3-5-9-13)15-12-22-16-11-7-6-10-14(15)16/h3-12,17-18,22H,1-2H3
InChIKeyXWCFLLSYVUXGIG-UHFFFAOYSA-N
XLogP2.97
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione with MolForge

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

Launch Full Analysis

Related Compounds

2-[(S)-1H-indol-3-yl(phenyl)methyl]indene-1,3-dione
CID 129384522
5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11131857
5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 138966562
3-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-1H-indole
CID 102035886
2-[(4-fluorophenyl)-(1H-indol-3-yl)methyl]indene-1,3-dione
CID 102496981
3-propan-2-yl-1H-indole
CID 12534824
5-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126115706
5-[(2-chlorophenyl)-[6-(3,5-ditert-butylphenyl)-1H-indol-3-yl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 164809291
5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 57377498
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
5-[(4-tert-butyl-2-chlorophenyl)-[6-(3,5-ditert-butylphenyl)-1H-indol-3-yl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 164809358
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912

Frequently Asked Questions

What is the IUPAC name of 5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 25098653) is 5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(C(c2ccccc2)c2c[nH]c3ccccc23)C(=O)N(C)C1=O.
What is the InChIKey of 5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is XWCFLLSYVUXGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-23-19(25)18(20(26)24(2)21(23)27)17(13-8-4-3-5-9-13)15-12-22-16-11-7-6-10-14(15)16/h3-12,17-18,22H,1-2H3.
What are the key properties of 5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 361.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 25098653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).