5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione

C15H15N3O2 — CID 61493872

IUPAC5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2CCn1ccnc1C
InChIInChI=1S/C15H15N3O2/c1-10-3-4-13-12(9-10)14(19)15(20)18(13)8-7-17-6-5-16-11(17)2/h3-6,9H,7-8H2,1-2H3
InChIKeySSGGJMAGAWIETJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.73
Rot. Bonds3

About 5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione

5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione (PubChem CID 61493872) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione
PubChem CID61493872
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione
SMILESCc1ccc2c(c1)C(=O)C(=O)N2CCn1ccnc1C
InChIInChI=1S/C15H15N3O2/c1-10-3-4-13-12(9-10)14(19)15(20)18(13)8-7-17-6-5-16-11(17)2/h3-6,9H,7-8H2,1-2H3
InChIKeySSGGJMAGAWIETJ-UHFFFAOYSA-N
XLogP1.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione 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

5-chloro-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione
CID 61493871
1-(3-aminopropyl)-5-methylindole-2,3-dione
CID 84622797
1-[2-(tert-butylamino)ethyl]-5-methylindole-2,3-dione
CID 61387641
1-[2-(3,5-dimethylphenoxy)ethyl]-5-methylindole-2,3-dione
CID 18802407
5-methyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione
CID 66140718
5-methyl-1-[2-(2-oxocyclopentyl)ethyl]indole-2,3-dione
CID 79568978
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole-2,3-dione
CID 106864247
5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]benzaldehyde
CID 63324827
5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
CID 61495309
5-methyl-1-(2-methylpentyl)indole-2,3-dione
CID 55055195
2-(5-methyl-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
CID 61490183
1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione
CID 103071681

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione?
The IUPAC name of 5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione (CID 61493872) is 5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione.
What is the SMILES notation for 5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione?
The canonical SMILES for 5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione is Cc1ccc2c(c1)C(=O)C(=O)N2CCn1ccnc1C.
What is the InChIKey of 5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione?
The InChIKey is SSGGJMAGAWIETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-3-4-13-12(9-10)14(19)15(20)18(13)8-7-17-6-5-16-11(17)2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione?
5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione has a molecular weight of 269.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione is sourced from PubChem (CID 61493872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).