(2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C20H12N2O2S — CID 879845

IUPAC(2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccc(-c3ccccc3)o2)sc2nc3ccccc3n12
InChIInChI=1S/C20H12N2O2S/c23-19-18(25-20-21-15-8-4-5-9-16(15)22(19)20)12-14-10-11-17(24-14)13-6-2-1-3-7-13/h1-12H/b18-12-
InChIKeyUQPLCZPLTFIOKZ-PDGQHHTCSA-N
MW344.40 g/mol
LogP3.72
Rot. Bonds2

About (2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 879845) has the molecular formula C20H12N2O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is (2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID879845
Molecular FormulaC20H12N2O2S
Molecular Weight344.40 g/mol
Exact Mass344.06
IUPAC Name(2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccc(-c3ccccc3)o2)sc2nc3ccccc3n12
InChIInChI=1S/C20H12N2O2S/c23-19-18(25-20-21-15-8-4-5-9-16(15)22(19)20)12-14-10-11-17(24-14)13-6-2-1-3-7-13/h1-12H/b18-12-
InChIKeyUQPLCZPLTFIOKZ-PDGQHHTCSA-N
XLogP3.72
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 879845) is (2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2ccc(-c3ccccc3)o2)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is UQPLCZPLTFIOKZ-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H12N2O2S/c23-19-18(25-20-21-15-8-4-5-9-16(15)22(19)20)12-14-10-11-17(24-14)13-6-2-1-3-7-13/h1-12H/b18-12-.
What are the key properties of (2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 344.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 879845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).