(2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C18H14N2OS — CID 2358807

IUPAC(2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)c1
InChIInChI=1S/C18H14N2OS/c1-11-7-8-13(12(2)9-11)10-16-17(21)20-15-6-4-3-5-14(15)19-18(20)22-16/h3-10H,1-2H3/b16-10-
InChIKeyLPADWGHNKMEXNO-YBEGLDIGSA-N
MW306.39 g/mol
LogP3.07
Rot. Bonds1

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

(2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 2358807) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is (2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID2358807
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name(2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)c1
InChIInChI=1S/C18H14N2OS/c1-11-7-8-13(12(2)9-11)10-16-17(21)20-15-6-4-3-5-14(15)19-18(20)22-16/h3-10H,1-2H3/b16-10-
InChIKeyLPADWGHNKMEXNO-YBEGLDIGSA-N
XLogP3.07
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 2358807) is (2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)c1.
What is the InChIKey of (2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is LPADWGHNKMEXNO-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-11-7-8-13(12(2)9-11)10-16-17(21)20-15-6-4-3-5-14(15)19-18(20)22-16/h3-10H,1-2H3/b16-10-.
What are the key properties of (2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 306.39 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,4-dimethylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 2358807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).