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

C30H32N4O6S — CID 4863881

IUPAC2-(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
SMILESCCOc1ccc(C2C(C(=O)c3sc4nc5ccccc5n4c3C)=C(O)C(=O)N2CCN2CCOCC2)cc1OC
InChIInChI=1S/C30H32N4O6S/c1-4-40-22-10-9-19(17-23(22)38-3)25-24(27(36)29(37)33(25)12-11-32-13-15-39-16-14-32)26(35)28-18(2)34-21-8-6-5-7-20(21)31-30(34)41-28/h5-10,17,25,36H,4,11-16H2,1-3H3
InChIKeyQGNUTXOOKRSZMQ-UHFFFAOYSA-N
MW576.68 g/mol
LogP4.18
Rot. Bonds9

About 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

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 (PubChem CID 4863881) has the molecular formula C30H32N4O6S and a molecular weight of 576.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID4863881
Molecular FormulaC30H32N4O6S
Molecular Weight576.68 g/mol
Exact Mass576.20
IUPAC Name2-(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
SMILESCCOc1ccc(C2C(C(=O)c3sc4nc5ccccc5n4c3C)=C(O)C(=O)N2CCN2CCOCC2)cc1OC
InChIInChI=1S/C30H32N4O6S/c1-4-40-22-10-9-19(17-23(22)38-3)25-24(27(36)29(37)33(25)12-11-32-13-15-39-16-14-32)26(35)28-18(2)34-21-8-6-5-7-20(21)31-30(34)41-28/h5-10,17,25,36H,4,11-16H2,1-3H3
InChIKeyQGNUTXOOKRSZMQ-UHFFFAOYSA-N
XLogP4.18
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.68
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 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
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
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
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
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]-2-(4-ethoxyphenyl)-4-hydroxy-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-2H-pyrrol-5-one
CID 4865821
(2S)-3-(1-benzofuran-2-carbonyl)-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1033534
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
2-(4-butoxy-3-ethoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 4866399
2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793477
2-(3-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 4866397
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1ccc(C2C(C(=O)c3sc4nc5ccccc5n4c3C)=C(O)C(=O)N2CCN2CCOCC2)cc1OC.
What is the InChIKey of 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?
The InChIKey is QGNUTXOOKRSZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O6S/c1-4-40-22-10-9-19(17-23(22)38-3)25-24(27(36)29(37)33(25)12-11-32-13-15-39-16-14-32)26(35)28-18(2)34-21-8-6-5-7-20(21)31-30(34)41-28/h5-10,17,25,36H,4,11-16H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 576.68 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 4863881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).