1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione

C26H23N5O2 — CID 123857939

IUPAC1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCCn2ccnc2)C(c2c[nH]c3ccccc23)C1c1c[nH]c2ccccc12
InChIInChI=1S/C26H23N5O2/c32-25-23(19-14-28-21-8-3-1-6-17(19)21)24(20-15-29-22-9-4-2-7-18(20)22)31(26(25)33)12-5-11-30-13-10-27-16-30/h1-4,6-10,13-16,23-24,28-29H,5,11-12H2
InChIKeyGQFAKZUUKFSOFL-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.17
Rot. Bonds6

About 1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione

1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione (PubChem CID 123857939) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione
PubChem CID123857939
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCCn2ccnc2)C(c2c[nH]c3ccccc23)C1c1c[nH]c2ccccc12
InChIInChI=1S/C26H23N5O2/c32-25-23(19-14-28-21-8-3-1-6-17(19)21)24(20-15-29-22-9-4-2-7-18(20)22)31(26(25)33)12-5-11-30-13-10-27-16-30/h1-4,6-10,13-16,23-24,28-29H,5,11-12H2
InChIKeyGQFAKZUUKFSOFL-UHFFFAOYSA-N
XLogP4.17
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-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

1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrolidine-2,3-dione
CID 123885552
5-(hydroxymethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 123495559
1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-propylpyrrolidine-2,3-dione
CID 123264300
5-(1,2-dihydroxyethyl)-1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 123587198
4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one
CID 68992339
1-(3-imidazol-1-ylpropyl)-4-methyl-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 123671110
2-(3-imidazol-1-ylpropyl)-1-oxo-3H-benzo[e]isoindole-3-carbonitrile
CID 110448738
5-(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrolidine-2,3-dione
CID 123435016
4-ethyl-1-(3-imidazol-1-ylpropyl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 123225684
1-(3-imidazol-1-ylpropyl)-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrrole-2,3-diol
CID 91546104
1-(3-imidazol-1-ylpropyl)-5-(1H-indol-3-yl)-4-methylpyrrole-2,3-diol
CID 91539299
N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955799

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione (CID 123857939) is 1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione is O=C1C(=O)N(CCCn2ccnc2)C(c2c[nH]c3ccccc23)C1c1c[nH]c2ccccc12.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione?
The InChIKey is GQFAKZUUKFSOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-25-23(19-14-28-21-8-3-1-6-17(19)21)24(20-15-29-22-9-4-2-7-18(20)22)31(26(25)33)12-5-11-30-13-10-27-16-30/h1-4,6-10,13-16,23-24,28-29H,5,11-12H2.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione?
1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione has a molecular weight of 437.50 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-4,5-bis(1H-indol-3-yl)pyrrolidine-2,3-dione is sourced from PubChem (CID 123857939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).