2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one

C17H9Cl2N3O2S — CID 4969889

IUPAC2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one
SMILESO=C1C(=Cc2ccco2)N=C(c2ccc(Cl)cc2Cl)N1c1nccs1
InChIInChI=1S/C17H9Cl2N3O2S/c18-10-3-4-12(13(19)8-10)15-21-14(9-11-2-1-6-24-11)16(23)22(15)17-20-5-7-25-17/h1-9H
InChIKeyUVIQFLZCQBCOQV-UHFFFAOYSA-N
MW390.25 g/mol
LogP4.88
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one

2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one (PubChem CID 4969889) has the molecular formula C17H9Cl2N3O2S and a molecular weight of 390.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one
PubChem CID4969889
Molecular FormulaC17H9Cl2N3O2S
Molecular Weight390.25 g/mol
Exact Mass388.98
IUPAC Name2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one
SMILESO=C1C(=Cc2ccco2)N=C(c2ccc(Cl)cc2Cl)N1c1nccs1
InChIInChI=1S/C17H9Cl2N3O2S/c18-10-3-4-12(13(19)8-10)15-21-14(9-11-2-1-6-24-11)16(23)22(15)17-20-5-7-25-17/h1-9H
InChIKeyUVIQFLZCQBCOQV-UHFFFAOYSA-N
XLogP4.88
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 4887838
2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135519731
(5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 682030
3-(3-chlorophenyl)-5-(furan-2-ylmethylidene)-2-piperidin-1-ylimidazol-4-one
CID 989433
(4Z)-2-(4-chloro-2-pyridinyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 9052520
(5Z)-5-benzylidene-3-[2-[(4E)-4-benzylidene-2-(2,4-dichlorophenyl)-5-oxoimidazol-1-yl]ethyl]-2-(2,4-dichlorophenyl)imidazol-4-one
CID 6223567
(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
(5E)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003167
(4E)-2-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6520824
(4Z)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 6104686
5-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 4893412

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one (CID 4969889) is 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one is O=C1C(=Cc2ccco2)N=C(c2ccc(Cl)cc2Cl)N1c1nccs1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one?
The InChIKey is UVIQFLZCQBCOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N3O2S/c18-10-3-4-12(13(19)8-10)15-21-14(9-11-2-1-6-24-11)16(23)22(15)17-20-5-7-25-17/h1-9H.
What are the key properties of 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one?
2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one has a molecular weight of 390.25 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one is sourced from PubChem (CID 4969889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).