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

C24H19N3O5S — CID 108700308

IUPAC4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C24H19N3O5S/c1-31-14-6-3-5-13(11-14)20-19(21(28)18-7-4-10-33-18)22(29)23(30)27(20)24-25-16-9-8-15(32-2)12-17(16)26-24/h3-12,20,29H,1-2H3,(H,25,26)
InChIKeyMGLHPIVQHMJNCF-UHFFFAOYSA-N
MW461.50 g/mol
LogP4.42
Rot. Bonds6

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

4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108700308) has the molecular formula C24H19N3O5S and a molecular weight of 461.50 g/mol. Its IUPAC name is 4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID108700308
Molecular FormulaC24H19N3O5S
Molecular Weight461.50 g/mol
Exact Mass461.10
IUPAC Name4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C24H19N3O5S/c1-31-14-6-3-5-13(11-14)20-19(21(28)18-7-4-10-33-18)22(29)23(30)27(20)24-25-16-9-8-15(32-2)12-17(16)26-24/h3-12,20,29H,1-2H3,(H,25,26)
InChIKeyMGLHPIVQHMJNCF-UHFFFAOYSA-N
XLogP4.42
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(dimethylamino)phenyl]-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108707646
2-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]-3H-benzimidazole-5-carboxylic acid
CID 108700475
3-(2,2-dimethylpropanoyl)-4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108698482
4-hydroxy-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108698690
1-(5,6-difluoro-1H-benzimidazol-2-yl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108700301
methyl 2-[(2S)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 40821257
4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108698487
1-(5,6-difluoro-1H-benzimidazol-2-yl)-4-hydroxy-2-(3-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108700279
1-butyl-4-hydroxy-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 44857938
(2S)-4-hydroxy-2-(4-methoxyphenyl)-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 7031233
(2S)-4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1050262
1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108699734

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108700308) is 4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is COc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3[nH]2)c1.
What is the InChIKey of 4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is MGLHPIVQHMJNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5S/c1-31-14-6-3-5-13(11-14)20-19(21(28)18-7-4-10-33-18)22(29)23(30)27(20)24-25-16-9-8-15(32-2)12-17(16)26-24/h3-12,20,29H,1-2H3,(H,25,26).
What are the key properties of 4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 461.50 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108700308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).