3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one

C23H23N3O3 — CID 143667371

IUPAC3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(c3ccc(O)cc3)=CC(=O)N2CCCn2ccnc2)cc1
InChIInChI=1S/C23H23N3O3/c1-29-20-9-5-18(6-10-20)23-21(17-3-7-19(27)8-4-17)15-22(28)26(23)13-2-12-25-14-11-24-16-25/h3-11,14-16,23,27H,2,12-13H2,1H3
InChIKeyVARVMRWTYUWGGQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.65
Rot. Bonds7

About 3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one

3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 143667371) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID143667371
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(c3ccc(O)cc3)=CC(=O)N2CCCn2ccnc2)cc1
InChIInChI=1S/C23H23N3O3/c1-29-20-9-5-18(6-10-20)23-21(17-3-7-19(27)8-4-17)15-22(28)26(23)13-2-12-25-14-11-24-16-25/h3-11,14-16,23,27H,2,12-13H2,1H3
InChIKeyVARVMRWTYUWGGQ-UHFFFAOYSA-N
XLogP3.65
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-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 3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one (CID 143667371) is 3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one is COc1ccc(C2C(c3ccc(O)cc3)=CC(=O)N2CCCn2ccnc2)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is VARVMRWTYUWGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-29-20-9-5-18(6-10-20)23-21(17-3-7-19(27)8-4-17)15-22(28)26(23)13-2-12-25-14-11-24-16-25/h3-11,14-16,23,27H,2,12-13H2,1H3.
What are the key properties of 3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 389.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 143667371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).