(5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one

C19H13N3OS — CID 682030

IUPAC(5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
SMILESO=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1c1nccs1
InChIInChI=1S/C19H13N3OS/c23-18-16(13-14-7-3-1-4-8-14)21-17(15-9-5-2-6-10-15)22(18)19-20-11-12-24-19/h1-13H/b16-13+
InChIKeyCYOJFEJQJWQSOS-DTQAZKPQSA-N
MW331.40 g/mol
LogP3.98
Rot. Bonds3

About (5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one

(5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one (PubChem CID 682030) has the molecular formula C19H13N3OS and a molecular weight of 331.40 g/mol. Its IUPAC name is (5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
PubChem CID682030
Molecular FormulaC19H13N3OS
Molecular Weight331.40 g/mol
Exact Mass331.08
IUPAC Name(5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
SMILESO=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1c1nccs1
InChIInChI=1S/C19H13N3OS/c23-18-16(13-14-7-3-1-4-8-14)21-17(15-9-5-2-6-10-15)22(18)19-20-11-12-24-19/h1-13H/b16-13+
InChIKeyCYOJFEJQJWQSOS-DTQAZKPQSA-N
XLogP3.98
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 1273947
(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 1273952
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
5-benzylidene-3-(5-chloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one
CID 3777613
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonate
CID 7832187
5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
CID 1003359
2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 4887838
5-[[4-(dimethylamino)phenyl]methylidene]-2-phenyl-3-([1,3]thiazolo[4,5-b]pyridin-2-yl)imidazol-4-one
CID 5026373
(5Z)-5-benzylidene-3-(2-methylphenyl)-2-(4-methylphenyl)imidazol-4-one
CID 6148052
5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one
CID 3070689
2-methyl-5-[(4-propan-2-yloxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 4859994

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one?
The IUPAC name of (5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one (CID 682030) is (5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one.
What is the SMILES notation for (5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one?
The canonical SMILES for (5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one is O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1c1nccs1.
What is the InChIKey of (5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one?
The InChIKey is CYOJFEJQJWQSOS-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H13N3OS/c23-18-16(13-14-7-3-1-4-8-14)21-17(15-9-5-2-6-10-15)22(18)19-20-11-12-24-19/h1-13H/b16-13+.
What are the key properties of (5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one?
(5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one has a molecular weight of 331.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one is sourced from PubChem (CID 682030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).