5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one

C10H12BrN3O2S — CID 138389790

IUPAC5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1c1ccc(Br)s1
InChIInChI=1S/C10H12BrN3O2S/c1-16-5-4-14-8(9(12)13-10(14)15)6-2-3-7(11)17-6/h2-3,8H,4-5H2,1H3,(H2,12,13,15)
InChIKeyGWMBXTQKVFIHGG-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.20
Rot. Bonds4

About 5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one

5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one (PubChem CID 138389790) has the molecular formula C10H12BrN3O2S and a molecular weight of 318.20 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
PubChem CID138389790
Molecular FormulaC10H12BrN3O2S
Molecular Weight318.20 g/mol
Exact Mass316.98
IUPAC Name5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1c1ccc(Br)s1
InChIInChI=1S/C10H12BrN3O2S/c1-16-5-4-14-8(9(12)13-10(14)15)6-2-3-7(11)17-6/h2-3,8H,4-5H2,1H3,(H2,12,13,15)
InChIKeyGWMBXTQKVFIHGG-UHFFFAOYSA-N
XLogP2.20
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one
CID 138390169
5-(2,6-dichlorophenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390703
5-(2-ethylphenyl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390315
4-imino-1-(2-methoxyethyl)-5-(4-propan-2-yloxyphenyl)imidazolidin-2-one
CID 138390991
4-imino-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)imidazolidin-2-one
CID 138390235
4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one
CID 138388789
5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390237
5-(2-bromo-4-methylphenyl)-4-imino-1-propylimidazolidin-2-one
CID 138391346
4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one
CID 138388758
4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one
CID 138390641
5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 66859970
1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one
CID 138389994

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one (CID 138389790) is 5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CCOC)C1c1ccc(Br)s1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is GWMBXTQKVFIHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2S/c1-16-5-4-14-8(9(12)13-10(14)15)6-2-3-7(11)17-6/h2-3,8H,4-5H2,1H3,(H2,12,13,15).
What are the key properties of 5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one?
5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 318.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 138389790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).