4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C26H26N4O5S — CID 4863883

IUPAC4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3sc4nc5ccccc5n4c3C)=C(O)C(=O)N2CCN2CCOCC2)o1
InChIInChI=1S/C26H26N4O5S/c1-15-7-8-19(35-15)21-20(23(32)25(33)29(21)10-9-28-11-13-34-14-12-28)22(31)24-16(2)30-18-6-4-3-5-17(18)27-26(30)36-24/h3-8,21,32H,9-14H2,1-2H3
InChIKeyGODDMJSEUXGSAZ-UHFFFAOYSA-N
MW506.58 g/mol
LogP3.67
Rot. Bonds6

About 4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 4863883) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 g/mol. Its IUPAC name is 4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID4863883
Molecular FormulaC26H26N4O5S
Molecular Weight506.58 g/mol
Exact Mass506.16
IUPAC Name4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3sc4nc5ccccc5n4c3C)=C(O)C(=O)N2CCN2CCOCC2)o1
InChIInChI=1S/C26H26N4O5S/c1-15-7-8-19(35-15)21-20(23(32)25(33)29(21)10-9-28-11-13-34-14-12-28)22(31)24-16(2)30-18-6-4-3-5-17(18)27-26(30)36-24/h3-8,21,32H,9-14H2,1-2H3
InChIKeyGODDMJSEUXGSAZ-UHFFFAOYSA-N
XLogP3.67
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one with MolForge

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Related Compounds

2-(3-fluorophenyl)-4-hydroxy-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 4863859
methyl 4-[4-hydroxy-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(3-morpholin-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]benzoate
CID 4865883
2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 4863881
4-hydroxy-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 4863873
4-hydroxy-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(3-morpholin-4-ylpropyl)-2-(3-nitrophenyl)-2H-pyrrol-5-one
CID 4865881
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methoxyphenyl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-2H-pyrrol-5-one
CID 4865817
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methylphenyl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-2H-pyrrol-5-one
CID 4865799
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75795538
1-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-4-hydroxy-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-2H-pyrrol-5-one
CID 4865821
4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 4863937
(2S)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1333033
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 3536054

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 4863883) is 4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)c3sc4nc5ccccc5n4c3C)=C(O)C(=O)N2CCN2CCOCC2)o1.
What is the InChIKey of 4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is GODDMJSEUXGSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5S/c1-15-7-8-19(35-15)21-20(23(32)25(33)29(21)10-9-28-11-13-34-14-12-28)22(31)24-16(2)30-18-6-4-3-5-17(18)27-26(30)36-24/h3-8,21,32H,9-14H2,1-2H3.
What are the key properties of 4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 506.58 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4863883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).