3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one

C24H25N3O5 — CID 108698482

IUPAC3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C24H25N3O5/c1-24(2,3)21(29)18-19(13-6-8-14(31-4)9-7-13)27(22(30)20(18)28)23-25-16-11-10-15(32-5)12-17(16)26-23/h6-12,19,28H,1-5H3,(H,25,26)
InChIKeySYAMDVABBWZTDF-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.10
Rot. Bonds5

About 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one

3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108698482) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID108698482
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C24H25N3O5/c1-24(2,3)21(29)18-19(13-6-8-14(31-4)9-7-13)27(22(30)20(18)28)23-25-16-11-10-15(32-5)12-17(16)26-23/h6-12,19,28H,1-5H3,(H,25,26)
InChIKeySYAMDVABBWZTDF-UHFFFAOYSA-N
XLogP4.10
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-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

Related Compounds

4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108698487
2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108707646
2-[4-(dimethylamino)phenyl]-1-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one
CID 108707525
4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108700308
(4E)-4-[hydroxy(phenyl)methylidene]-1-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108698436
(4E)-4-[(2-chloro-5-methoxyphenyl)-hydroxymethylidene]-1-(6-methoxy-1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108698481
3-(5-chloro-1-benzofuran-2-carbonyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-5-one
CID 108707719
3-(2,2-dimethylpropanoyl)-1-(6-fluoro-1H-benzimidazol-2-yl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108608905
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108575685
1-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108576033
1-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592592
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(3-methoxyphenyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108631953

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one (CID 108698482) is 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one is COc1ccc(C2C(C(=O)C(C)(C)C)=C(O)C(=O)N2c2nc3ccc(OC)cc3[nH]2)cc1.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is SYAMDVABBWZTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-24(2,3)21(29)18-19(13-6-8-14(31-4)9-7-13)27(22(30)20(18)28)23-25-16-11-10-15(32-5)12-17(16)26-23/h6-12,19,28H,1-5H3,(H,25,26).
What are the key properties of 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 435.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108698482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).