2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C20H19N3O2S — CID 612337

IUPAC2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCCN(CC)c1ccc(C=c2sc3nc4ccccc4n3c2=O)c(O)c1
InChIInChI=1S/C20H19N3O2S/c1-3-22(4-2)14-10-9-13(17(24)12-14)11-18-19(25)23-16-8-6-5-7-15(16)21-20(23)26-18/h5-12,24H,3-4H2,1-2H3
InChIKeyWSDHPUOHJBWIOH-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.01
Rot. Bonds4

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

2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 612337) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID612337
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCCN(CC)c1ccc(C=c2sc3nc4ccccc4n3c2=O)c(O)c1
InChIInChI=1S/C20H19N3O2S/c1-3-22(4-2)14-10-9-13(17(24)12-14)11-18-19(25)23-16-8-6-5-7-15(16)21-20(23)26-18/h5-12,24H,3-4H2,1-2H3
InChIKeyWSDHPUOHJBWIOH-UHFFFAOYSA-N
XLogP3.01
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 612337) is 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is CCN(CC)c1ccc(C=c2sc3nc4ccccc4n3c2=O)c(O)c1.
What is the InChIKey of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is WSDHPUOHJBWIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-3-22(4-2)14-10-9-13(17(24)12-14)11-18-19(25)23-16-8-6-5-7-15(16)21-20(23)26-18/h5-12,24H,3-4H2,1-2H3.
What are the key properties of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 365.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 612337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).