5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one

C10H11BrClN3O2S — CID 136964624

IUPAC5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one
SMILESCOCC/N=C1\NC(=O)C(c2cc(Br)c(Cl)s2)N1
InChIInChI=1S/C10H11BrClN3O2S/c1-17-3-2-13-10-14-7(9(16)15-10)6-4-5(11)8(12)18-6/h4,7H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyZNKVMBUOBAUOOC-UHFFFAOYSA-N
MW352.64 g/mol
LogP1.93
Rot. Bonds4

About 5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one

5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one (PubChem CID 136964624) has the molecular formula C10H11BrClN3O2S and a molecular weight of 352.64 g/mol. Its IUPAC name is 5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one.

Molecular Properties

Compound Name5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one
PubChem CID136964624
Molecular FormulaC10H11BrClN3O2S
Molecular Weight352.64 g/mol
Exact Mass350.94
IUPAC Name5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one
SMILESCOCC/N=C1\NC(=O)C(c2cc(Br)c(Cl)s2)N1
InChIInChI=1S/C10H11BrClN3O2S/c1-17-3-2-13-10-14-7(9(16)15-10)6-4-5(11)8(12)18-6/h4,7H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyZNKVMBUOBAUOOC-UHFFFAOYSA-N
XLogP1.93
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.64
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one
CID 136964622
5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 137005087
5-(3-chloro-5-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 137003541
5-(4-chloro-2-methylphenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 136877697
5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one
CID 103439847
5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one
CID 136980760
ethyl 4-(4-bromo-5-ethylthiophen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 19656374
(3R,8aS)-3-(4-bromo-5-chlorothiophen-2-yl)-2,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]oxazin-1-one
CID 99779245
3-(4-bromo-5-chlorothiophen-2-yl)-2,5-dimethylpyrrolidine
CID 102844812
3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
CID 102844815
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262
N-(3,5-dichlorophenyl)-2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135797682

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one?
The IUPAC name of 5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one (CID 136964624) is 5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one.
What is the SMILES notation for 5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one?
The canonical SMILES for 5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one is COCC/N=C1\NC(=O)C(c2cc(Br)c(Cl)s2)N1.
What is the InChIKey of 5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one?
The InChIKey is ZNKVMBUOBAUOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O2S/c1-17-3-2-13-10-14-7(9(16)15-10)6-4-5(11)8(12)18-6/h4,7H,2-3H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one?
5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one has a molecular weight of 352.64 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one is sourced from PubChem (CID 136964624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).