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

C27H25FN4O4S — CID 4863859

IUPAC2-(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
SMILESCc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2cccc(F)c2)sc2nc3ccccc3n12
InChIInChI=1S/C27H25FN4O4S/c1-16-25(37-27-29-19-7-2-3-8-20(19)32(16)27)23(33)21-22(17-5-4-6-18(28)15-17)31(26(35)24(21)34)10-9-30-11-13-36-14-12-30/h2-8,15,22,34H,9-14H2,1H3
InChIKeyPFIKEXMEPQOCSM-UHFFFAOYSA-N
MW520.59 g/mol
LogP3.91
Rot. Bonds6

About 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

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 (PubChem CID 4863859) has the molecular formula C27H25FN4O4S and a molecular weight of 520.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID4863859
Molecular FormulaC27H25FN4O4S
Molecular Weight520.59 g/mol
Exact Mass520.16
IUPAC Name2-(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
SMILESCc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2cccc(F)c2)sc2nc3ccccc3n12
InChIInChI=1S/C27H25FN4O4S/c1-16-25(37-27-29-19-7-2-3-8-20(19)32(16)27)23(33)21-22(17-5-4-6-18(28)15-17)31(26(35)24(21)34)10-9-30-11-13-36-14-12-30/h2-8,15,22,34H,9-14H2,1H3
InChIKeyPFIKEXMEPQOCSM-UHFFFAOYSA-N
XLogP3.91
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
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
2-(3-fluorophenyl)-4-hydroxy-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 4863924
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
(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one
CID 40835319
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
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
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
(2R)-2-(3-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 40923733
(2S)-2-(3-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 40923729

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2cccc(F)c2)sc2nc3ccccc3n12.
What is the InChIKey of 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?
The InChIKey is PFIKEXMEPQOCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O4S/c1-16-25(37-27-29-19-7-2-3-8-20(19)32(16)27)23(33)21-22(17-5-4-6-18(28)15-17)31(26(35)24(21)34)10-9-30-11-13-36-14-12-30/h2-8,15,22,34H,9-14H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 520.59 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 4863859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).