4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one

C25H27N3O5 — CID 2950328

IUPAC4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCn2ccnc2)cc1
InChIInChI=1S/C25H27N3O5/c1-3-15-32-19-8-6-18(7-9-19)22-21(23(29)20-10-5-17(2)33-20)24(30)25(31)28(22)13-4-12-27-14-11-26-16-27/h5-11,14,16,22,30H,3-4,12-13,15H2,1-2H3
InChIKeyPFQRLBDBBOSSGI-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.24
Rot. Bonds10

About 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one

4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 2950328) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID2950328
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCn2ccnc2)cc1
InChIInChI=1S/C25H27N3O5/c1-3-15-32-19-8-6-18(7-9-19)22-21(23(29)20-10-5-17(2)33-20)24(30)25(31)28(22)13-4-12-27-14-11-26-16-27/h5-11,14,16,22,30H,3-4,12-13,15H2,1-2H3
InChIKeyPFQRLBDBBOSSGI-UHFFFAOYSA-N
XLogP4.24
TPSA97.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one (CID 2950328) is 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCn2ccnc2)cc1.
What is the InChIKey of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is PFQRLBDBBOSSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-3-15-32-19-8-6-18(7-9-19)22-21(23(29)20-10-5-17(2)33-20)24(30)25(31)28(22)13-4-12-27-14-11-26-16-27/h5-11,14,16,22,30H,3-4,12-13,15H2,1-2H3.
What are the key properties of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one?
4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 449.51 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2950328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).