(2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C24H14FN3O2S — CID 1328067

IUPAC(2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=C1/C(=c2\sc3nc4ccccc4n3c2=O)c2ccccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C24H14FN3O2S/c25-15-11-9-14(10-12-15)13-27-18-7-3-1-5-16(18)20(22(27)29)21-23(30)28-19-8-4-2-6-17(19)26-24(28)31-21/h1-12H,13H2/b21-20-
InChIKeyDRAIIRKTMOUFEV-MRCUWXFGSA-N
MW427.46 g/mol
LogP3.51
Rot. Bonds2

About (2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 1328067) has the molecular formula C24H14FN3O2S and a molecular weight of 427.46 g/mol. Its IUPAC name is (2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID1328067
Molecular FormulaC24H14FN3O2S
Molecular Weight427.46 g/mol
Exact Mass427.08
IUPAC Name(2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=C1/C(=c2\sc3nc4ccccc4n3c2=O)c2ccccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C24H14FN3O2S/c25-15-11-9-14(10-12-15)13-27-18-7-3-1-5-16(18)20(22(27)29)21-23(30)28-19-8-4-2-6-17(19)26-24(28)31-21/h1-12H,13H2/b21-20-
InChIKeyDRAIIRKTMOUFEV-MRCUWXFGSA-N
XLogP3.51
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-oxo-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)indol-1-yl]acetate
CID 23912323
ethyl 2-[2-oxo-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)indol-1-yl]acetate
CID 1051154
[2-[(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate
CID 18804634
2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3336449
(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804579
5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3722938
(2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 680617
(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(3-methyl-1-benzofuran-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804688
2-(2-methoxyphenyl)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3847539
(5Z)-5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-(4-pentoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 23430930
[2-[(5Z)-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate
CID 18804633
(5Z)-5-[5-bromo-1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18804572

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 1328067) is (2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=C1/C(=c2\sc3nc4ccccc4n3c2=O)c2ccccc2N1Cc1ccc(F)cc1.
What is the InChIKey of (2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is DRAIIRKTMOUFEV-MRCUWXFGSA-N. The full InChI is InChI=1S/C24H14FN3O2S/c25-15-11-9-14(10-12-15)13-27-18-7-3-1-5-16(18)20(22(27)29)21-23(30)28-19-8-4-2-6-17(19)26-24(28)31-21/h1-12H,13H2/b21-20-.
What are the key properties of (2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 427.46 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 1328067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).