(2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C18H13FN2OS — CID 2055355

IUPAC(2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccc2c(nc3s/c(=C/c4ccc(F)cc4)c(=O)n32)c1C
InChIInChI=1S/C18H13FN2OS/c1-10-3-8-14-16(11(10)2)20-18-21(14)17(22)15(23-18)9-12-4-6-13(19)7-5-12/h3-9H,1-2H3/b15-9+
InChIKeyCAUOINZPETVXOE-OQLLNIDSSA-N
MW324.38 g/mol
LogP3.21
Rot. Bonds1

About (2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 2055355) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is (2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID2055355
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name(2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccc2c(nc3s/c(=C/c4ccc(F)cc4)c(=O)n32)c1C
InChIInChI=1S/C18H13FN2OS/c1-10-3-8-14-16(11(10)2)20-18-21(14)17(22)15(23-18)9-12-4-6-13(19)7-5-12/h3-9H,1-2H3/b15-9+
InChIKeyCAUOINZPETVXOE-OQLLNIDSSA-N
XLogP3.21
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 2055355) is (2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1ccc2c(nc3s/c(=C/c4ccc(F)cc4)c(=O)n32)c1C.
What is the InChIKey of (2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is CAUOINZPETVXOE-OQLLNIDSSA-N. The full InChI is InChI=1S/C18H13FN2OS/c1-10-3-8-14-16(11(10)2)20-18-21(14)17(22)15(23-18)9-12-4-6-13(19)7-5-12/h3-9H,1-2H3/b15-9+.
What are the key properties of (2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 324.38 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 2055355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).