4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one

C10H13N3O2S — CID 138390169

IUPAC4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1c1ccsc1
InChIInChI=1S/C10H13N3O2S/c1-15-4-3-13-8(7-2-5-16-6-7)9(11)12-10(13)14/h2,5-6,8H,3-4H2,1H3,(H2,11,12,14)
InChIKeySZDJXLQAZLHKIF-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.44
Rot. Bonds4

About 4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one

4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one (PubChem CID 138390169) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one
PubChem CID138390169
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C1c1ccsc1
InChIInChI=1S/C10H13N3O2S/c1-15-4-3-13-8(7-2-5-16-6-7)9(11)12-10(13)14/h2,5-6,8H,3-4H2,1H3,(H2,11,12,14)
InChIKeySZDJXLQAZLHKIF-UHFFFAOYSA-N
XLogP1.44
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.44
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-(4-propan-2-yloxyphenyl)imidazolidin-2-one
CID 138390991
4-imino-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)imidazolidin-2-one
CID 138390235
5-(5-bromothiophen-2-yl)-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138389790
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
5-butyl-4-imino-1-(2-methoxyethyl)imidazolidin-2-one
CID 138390237
4-imino-5-(4-methylsulfanylphenyl)-1-propylimidazolidin-2-one
CID 138388758
5-(2-methoxyethyl)-7,7-dimethyl-2-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 70421969
1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one
CID 138389994
1-ethyl-4-imino-5-(4-propan-2-ylphenyl)imidazolidin-2-one
CID 138389096
4-(3-ethyl-5-imino-2-oxoimidazolidin-4-yl)benzonitrile
CID 138390303
5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one
CID 138390678

Frequently Asked Questions

What is the IUPAC name of 4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one?
The IUPAC name of 4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one (CID 138390169) is 4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one.
What is the SMILES notation for 4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one?
The canonical SMILES for 4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CCOC)C1c1ccsc1.
What is the InChIKey of 4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one?
The InChIKey is SZDJXLQAZLHKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-15-4-3-13-8(7-2-5-16-6-7)9(11)12-10(13)14/h2,5-6,8H,3-4H2,1H3,(H2,11,12,14).
What are the key properties of 4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one?
4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one has a molecular weight of 239.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-(2-methoxyethyl)-5-thiophen-3-ylimidazolidin-2-one is sourced from PubChem (CID 138390169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).