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

C17H10BrN3O2S — CID 4887838

IUPAC2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one
SMILESO=C1C(=Cc2ccco2)N=C(c2ccccc2Br)N1c1nccs1
InChIInChI=1S/C17H10BrN3O2S/c18-13-6-2-1-5-12(13)15-20-14(10-11-4-3-8-23-11)16(22)21(15)17-19-7-9-24-17/h1-10H
InChIKeyFSCXDEBHWSZWDB-UHFFFAOYSA-N
MW400.26 g/mol
LogP4.33
Rot. Bonds3

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

2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one (PubChem CID 4887838) has the molecular formula C17H10BrN3O2S and a molecular weight of 400.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one
PubChem CID4887838
Molecular FormulaC17H10BrN3O2S
Molecular Weight400.26 g/mol
Exact Mass398.97
IUPAC Name2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one
SMILESO=C1C(=Cc2ccco2)N=C(c2ccccc2Br)N1c1nccs1
InChIInChI=1S/C17H10BrN3O2S/c18-13-6-2-1-5-12(13)15-20-14(10-11-4-3-8-23-11)16(22)21(15)17-19-7-9-24-17/h1-10H
InChIKeyFSCXDEBHWSZWDB-UHFFFAOYSA-N
XLogP4.33
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 54.33
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-(2,4-dichlorophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 4969889
(5E)-5-benzylidene-2-phenyl-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 682030
(4E)-2-(2-bromophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135699223
(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
(3Z)-3-[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one
CID 135748227
5-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-3-(1,3-thiazol-2-yl)imidazol-4-one
CID 4893412
(2E,5E)-5-(furan-2-ylmethylidene)-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844230
(5Z)-5-(furan-2-ylmethylidene)-2,3-dimethyl-1-phenyl-1,2,4-triazin-6-one
CID 171977658
2-[(4E)-4-(furan-2-ylmethylidene)-2-methyl-5-oxoimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137242198
(5E)-3-(2-bromophenyl)-5-(furan-2-ylmethylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
CID 7559655
(4Z)-4-[[5-(2-bromophenyl)furan-2-yl]methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 7963728

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one?
The IUPAC name of 2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one (CID 4887838) is 2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one.
What is the SMILES notation for 2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one?
The canonical SMILES for 2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one is O=C1C(=Cc2ccco2)N=C(c2ccccc2Br)N1c1nccs1.
What is the InChIKey of 2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one?
The InChIKey is FSCXDEBHWSZWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O2S/c18-13-6-2-1-5-12(13)15-20-14(10-11-4-3-8-23-11)16(22)21(15)17-19-7-9-24-17/h1-10H.
What are the key properties of 2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one?
2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one has a molecular weight of 400.26 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-(furan-2-ylmethylidene)-3-(1,3-thiazol-2-yl)imidazol-4-one is sourced from PubChem (CID 4887838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).