4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one

C23H28N4O2 — CID 68992339

IUPAC4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one
SMILESCCCCCC1C(c2c[nH]c3ccccc23)=C(O)C(=O)N1CCCn1ccnc1
InChIInChI=1S/C23H28N4O2/c1-2-3-4-10-20-21(18-15-25-19-9-6-5-8-17(18)19)22(28)23(29)27(20)13-7-12-26-14-11-24-16-26/h5-6,8-9,11,14-16,20,25,28H,2-4,7,10,12-13H2,1H3
InChIKeyYFXRYFDVBJOPDP-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.51
Rot. Bonds9

About 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one

4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one (PubChem CID 68992339) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one
PubChem CID68992339
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one
SMILESCCCCCC1C(c2c[nH]c3ccccc23)=C(O)C(=O)N1CCCn1ccnc1
InChIInChI=1S/C23H28N4O2/c1-2-3-4-10-20-21(18-15-25-19-9-6-5-8-17(18)19)22(28)23(29)27(20)13-7-12-26-14-11-24-16-26/h5-6,8-9,11,14-16,20,25,28H,2-4,7,10,12-13H2,1H3
InChIKeyYFXRYFDVBJOPDP-UHFFFAOYSA-N
XLogP4.51
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one 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 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one (CID 68992339) is 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one is CCCCCC1C(c2c[nH]c3ccccc23)=C(O)C(=O)N1CCCn1ccnc1.
What is the InChIKey of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one?
The InChIKey is YFXRYFDVBJOPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-3-4-10-20-21(18-15-25-19-9-6-5-8-17(18)19)22(28)23(29)27(20)13-7-12-26-14-11-24-16-26/h5-6,8-9,11,14-16,20,25,28H,2-4,7,10,12-13H2,1H3.
What are the key properties of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one?
4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one has a molecular weight of 392.50 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1H-indol-3-yl)-2-pentyl-2H-pyrrol-5-one is sourced from PubChem (CID 68992339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).