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

C20H17N3O2S — CID 2244222

IUPAC(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccc(N3CCOCC3)cc2)sc2nc3ccccc3n12
InChIInChI=1S/C20H17N3O2S/c24-19-18(26-20-21-16-3-1-2-4-17(16)23(19)20)13-14-5-7-15(8-6-14)22-9-11-25-12-10-22/h1-8,13H,9-12H2/b18-13-
InChIKeyDWOYWRKVKGTEBA-AQTBWJFISA-N
MW363.44 g/mol
LogP2.29
Rot. Bonds2

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

(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 2244222) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID2244222
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccc(N3CCOCC3)cc2)sc2nc3ccccc3n12
InChIInChI=1S/C20H17N3O2S/c24-19-18(26-20-21-16-3-1-2-4-17(16)23(19)20)13-14-5-7-15(8-6-14)22-9-11-25-12-10-22/h1-8,13H,9-12H2/b18-13-
InChIKeyDWOYWRKVKGTEBA-AQTBWJFISA-N
XLogP2.29
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
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 (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 2244222) is (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2ccc(N3CCOCC3)cc2)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is DWOYWRKVKGTEBA-AQTBWJFISA-N. The full InChI is InChI=1S/C20H17N3O2S/c24-19-18(26-20-21-16-3-1-2-4-17(16)23(19)20)13-14-5-7-15(8-6-14)22-9-11-25-12-10-22/h1-8,13H,9-12H2/b18-13-.
What are the key properties of (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 363.44 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 2244222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).