4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one

C22H21N3O4 — CID 25099742

IUPAC4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2cccc(O)c2)C(c2cccc(O)c2)N1CCCn1ccnc1
InChIInChI=1S/C22H21N3O4/c26-17-6-1-4-15(12-17)19-20(16-5-2-7-18(27)13-16)25(22(29)21(19)28)10-3-9-24-11-8-23-14-24/h1-2,4-8,11-14,20,26-28H,3,9-10H2
InChIKeySRJCVRSOAMRJNY-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.24
Rot. Bonds6

About 4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one

4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one (PubChem CID 25099742) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
PubChem CID25099742
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2cccc(O)c2)C(c2cccc(O)c2)N1CCCn1ccnc1
InChIInChI=1S/C22H21N3O4/c26-17-6-1-4-15(12-17)19-20(16-5-2-7-18(27)13-16)25(22(29)21(19)28)10-3-9-24-11-8-23-14-24/h1-2,4-8,11-14,20,26-28H,3,9-10H2
InChIKeySRJCVRSOAMRJNY-UHFFFAOYSA-N
XLogP3.24
TPSA98.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-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

Related Compounds

2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one
CID 25099411
5-(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-propan-2-ylpyrrolidine-2,3-dione
CID 123435016
2-(cyclohexen-1-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-phenyl-2H-pyrrol-5-one
CID 25099530
4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 3359780
4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 3575392
2-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 2910207
4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pent-1-enyl-3-phenyl-2H-pyrrol-5-one
CID 68989517
4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-[(E)-3-methylbut-1-enyl]-3-phenyl-2H-pyrrol-5-one
CID 25099487
(4E,5S)-4-[hydroxy-[4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 98319951
4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 5146929
(5R)-5-(3-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 1312264
5-(3-chlorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 3253812

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one (CID 25099742) is 4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one is O=C1C(O)=C(c2cccc(O)c2)C(c2cccc(O)c2)N1CCCn1ccnc1.
What is the InChIKey of 4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one?
The InChIKey is SRJCVRSOAMRJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c26-17-6-1-4-15(12-17)19-20(16-5-2-7-18(27)13-16)25(22(29)21(19)28)10-3-9-24-11-8-23-14-24/h1-2,4-8,11-14,20,26-28H,3,9-10H2.
What are the key properties of 4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one?
4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one has a molecular weight of 391.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-bis(3-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 25099742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).