(2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C25H16FN3OS — CID 1356887

IUPAC(2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)sc2nc3ccccc3n12
InChIInChI=1S/C25H16FN3OS/c26-18-11-9-16(10-12-18)14-28-15-17(19-5-1-3-7-21(19)28)13-23-24(30)29-22-8-4-2-6-20(22)27-25(29)31-23/h1-13,15H,14H2/b23-13-
InChIKeyLJEWSDRXMBWZPL-QRVIBDJDSA-N
MW425.49 g/mol
LogP4.60
Rot. Bonds3

About (2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 1356887) has the molecular formula C25H16FN3OS and a molecular weight of 425.49 g/mol. Its IUPAC name is (2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID1356887
Molecular FormulaC25H16FN3OS
Molecular Weight425.49 g/mol
Exact Mass425.10
IUPAC Name(2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)sc2nc3ccccc3n12
InChIInChI=1S/C25H16FN3OS/c26-18-11-9-16(10-12-18)14-28-15-17(19-5-1-3-7-21(19)28)13-23-24(30)29-22-8-4-2-6-20(22)27-25(29)31-23/h1-13,15H,14H2/b23-13-
InChIKeyLJEWSDRXMBWZPL-QRVIBDJDSA-N
XLogP4.60
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 1356887) is (2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is LJEWSDRXMBWZPL-QRVIBDJDSA-N. The full InChI is InChI=1S/C25H16FN3OS/c26-18-11-9-16(10-12-18)14-28-15-17(19-5-1-3-7-21(19)28)13-23-24(30)29-22-8-4-2-6-20(22)27-25(29)31-23/h1-13,15H,14H2/b23-13-.
What are the key properties of (2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 425.49 g/mol, XLogP of 4.60, 3 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]indol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 1356887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).