2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane

C24H27N3O5S — CID 160543643

IUPAC2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane
SMILESC.COc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCn2ccnc2)c(OC)c1
InChIInChI=1S/C23H23N3O5S.CH4/c1-30-15-6-7-16(17(13-15)31-2)20-19(21(27)18-5-3-12-32-18)22(28)23(29)26(20)10-4-9-25-11-8-24-14-25;/h3,5-8,11-14,20,28H,4,9-10H2,1-2H3;1H4
InChIKeyQXCZALPHATZZOW-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.27
Rot. Bonds9

About 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane

2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane (PubChem CID 160543643) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane
PubChem CID160543643
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane
SMILESC.COc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCn2ccnc2)c(OC)c1
InChIInChI=1S/C23H23N3O5S.CH4/c1-30-15-6-7-16(17(13-15)31-2)20-19(21(27)18-5-3-12-32-18)22(28)23(29)26(20)10-4-9-25-11-8-24-14-25;/h3,5-8,11-14,20,28H,4,9-10H2,1-2H3;1H4
InChIKeyQXCZALPHATZZOW-UHFFFAOYSA-N
XLogP4.27
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(4-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2907867
(2R)-3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 1112620
(2S)-2-(2,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1155360
3-[2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethylazanium
CID 4756433
(2S)-2-(4-ethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1325020
2-(3,4-diethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3794945
2-(2,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one
CID 2927123
(2R)-2-(furan-2-yl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1155966
2-(3-ethoxy-4-pentoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3380921
2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3382622
(4E,5S)-5-(2,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
CID 98113151
1-butyl-4-hydroxy-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 44857938

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane (CID 160543643) is 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane is C.COc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCn2ccnc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane?
The InChIKey is QXCZALPHATZZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S.CH4/c1-30-15-6-7-16(17(13-15)31-2)20-19(21(27)18-5-3-12-32-18)22(28)23(29)26(20)10-4-9-25-11-8-24-14-25;/h3,5-8,11-14,20,28H,4,9-10H2,1-2H3;1H4.
What are the key properties of 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane?
2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane has a molecular weight of 469.56 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one;methane is sourced from PubChem (CID 160543643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).