5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one

C10H11BrClN3OS — CID 136964622

IUPAC5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\NC(=O)C(c2cc(Br)c(Cl)s2)N1
InChIInChI=1S/C10H11BrClN3OS/c1-2-3-13-10-14-7(9(16)15-10)6-4-5(11)8(12)17-6/h4,7H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyZJYIAQBVOXMGTA-UHFFFAOYSA-N
MW336.64 g/mol
LogP2.69
Rot. Bonds3

About 5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one

5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one (PubChem CID 136964622) has the molecular formula C10H11BrClN3OS and a molecular weight of 336.64 g/mol. Its IUPAC name is 5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one.

Molecular Properties

Compound Name5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one
PubChem CID136964622
Molecular FormulaC10H11BrClN3OS
Molecular Weight336.64 g/mol
Exact Mass334.95
IUPAC Name5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\NC(=O)C(c2cc(Br)c(Cl)s2)N1
InChIInChI=1S/C10H11BrClN3OS/c1-2-3-13-10-14-7(9(16)15-10)6-4-5(11)8(12)17-6/h4,7H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyZJYIAQBVOXMGTA-UHFFFAOYSA-N
XLogP2.69
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.64
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 136964624
5-(3-chloro-4-methylphenyl)-2-propyliminoimidazolidin-4-one
CID 136980760
5-(4-bromo-5-methylthiophen-2-yl)imidazolidine-2,4-dione
CID 102838029
5-(2-methoxy-2-methylpropyl)-2-propyliminoimidazolidin-4-one
CID 136766553
5-(4-bromo-5-chlorothiophen-2-yl)oxolan-2-one
CID 103439847
3-(4-bromo-5-chlorothiophen-2-yl)-2-ethyl-5-methylpyrrolidine
CID 102844815
5-(4-chloro-2-fluorophenyl)-2-(2-methoxyethylimino)imidazolidin-4-one
CID 137005087
2-ethylimino-5-(1,3-thiazol-2-yl)imidazolidin-4-one
CID 136706810
(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
2-ethylimino-5-(2-fluoro-5-methylphenyl)imidazolidin-4-one
CID 136731241
(4-bromo-5-chlorothiophen-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176750

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one?
The IUPAC name of 5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one (CID 136964622) is 5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one.
What is the SMILES notation for 5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one?
The canonical SMILES for 5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one is CCC/N=C1\NC(=O)C(c2cc(Br)c(Cl)s2)N1.
What is the InChIKey of 5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one?
The InChIKey is ZJYIAQBVOXMGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3OS/c1-2-3-13-10-14-7(9(16)15-10)6-4-5(11)8(12)17-6/h4,7H,2-3H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one?
5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one has a molecular weight of 336.64 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-5-chlorothiophen-2-yl)-2-propyliminoimidazolidin-4-one is sourced from PubChem (CID 136964622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).