4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione

C15H14BrN3O2 — CID 66152463

IUPAC4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione
SMILESCCCn1cncc1CN1C(=O)C(=O)c2c(Br)cccc21
InChIInChI=1S/C15H14BrN3O2/c1-2-6-18-9-17-7-10(18)8-19-12-5-3-4-11(16)13(12)14(20)15(19)21/h3-5,7,9H,2,6,8H2,1H3
InChIKeySQWPRTWDCAKKQY-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.79
Rot. Bonds4

About 4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione

4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione (PubChem CID 66152463) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione
PubChem CID66152463
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione
SMILESCCCn1cncc1CN1C(=O)C(=O)c2c(Br)cccc21
InChIInChI=1S/C15H14BrN3O2/c1-2-6-18-9-17-7-10(18)8-19-12-5-3-4-11(16)13(12)14(20)15(19)21/h3-5,7,9H,2,6,8H2,1H3
InChIKeySQWPRTWDCAKKQY-UHFFFAOYSA-N
XLogP2.79
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-1-[(3-propylimidazol-4-yl)methyl]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

7-methyl-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione
CID 66153029
3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
CID 114761246
4-chloro-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione
CID 66142340
4-bromo-1-(2-ethoxyethyl)indole-2,3-dione
CID 43457243
4-bromo-1-(2-methylsulfonylethyl)indole-2,3-dione
CID 54937122
5-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
CID 66309753
4-bromo-1-(3-hydroxy-3-methylbutyl)indole-2,3-dione
CID 79360551
2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
CID 43309780
4-bromo-1-[(4-ethylpiperazin-1-yl)methyl]indole-2,3-dione
CID 18275178
1-[(3-ethylimidazol-4-yl)methyl]-4,7-difluoroindole-2,3-dione
CID 83206571
4-bromo-3-nitro-1-[(3-propylimidazol-4-yl)methyl]pyrazole
CID 66153231
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione
CID 28518225

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione?
The IUPAC name of 4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione (CID 66152463) is 4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione?
The canonical SMILES for 4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione is CCCn1cncc1CN1C(=O)C(=O)c2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione?
The InChIKey is SQWPRTWDCAKKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-2-6-18-9-17-7-10(18)8-19-12-5-3-4-11(16)13(12)14(20)15(19)21/h3-5,7,9H,2,6,8H2,1H3.
What are the key properties of 4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione?
4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione has a molecular weight of 348.20 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(3-propylimidazol-4-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 66152463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).