(2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C17H12N2OS — CID 812288

IUPAC(2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C17H12N2OS/c1-11-6-8-12(9-7-11)10-15-16(20)19-14-5-3-2-4-13(14)18-17(19)21-15/h2-10H,1H3/b15-10+
InChIKeyOYOJHBNXUFZLRS-XNTDXEJSSA-N
MW292.36 g/mol
LogP2.77
Rot. Bonds1

About (2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 812288) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is (2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID812288
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name(2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C17H12N2OS/c1-11-6-8-12(9-7-11)10-15-16(20)19-14-5-3-2-4-13(14)18-17(19)21-15/h2-10H,1H3/b15-10+
InChIKeyOYOJHBNXUFZLRS-XNTDXEJSSA-N
XLogP2.77
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 812288) is (2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1.
What is the InChIKey of (2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is OYOJHBNXUFZLRS-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-11-6-8-12(9-7-11)10-15-16(20)19-14-5-3-2-4-13(14)18-17(19)21-15/h2-10H,1H3/b15-10+.
What are the key properties of (2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 292.36 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 812288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).