4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one

C11H15N3OS — CID 138390641

IUPAC4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1c1ccc(C)s1
InChIInChI=1S/C11H15N3OS/c1-6(2)14-9(10(12)13-11(14)15)8-5-4-7(3)16-8/h4-6,9H,1-3H3,(H2,12,13,15)
InChIKeyNVAUMSXTGDFCJD-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.51
Rot. Bonds2

About 4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one

4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one (PubChem CID 138390641) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one
PubChem CID138390641
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1c1ccc(C)s1
InChIInChI=1S/C11H15N3OS/c1-6(2)14-9(10(12)13-11(14)15)8-5-4-7(3)16-8/h4-6,9H,1-3H3,(H2,12,13,15)
InChIKeyNVAUMSXTGDFCJD-UHFFFAOYSA-N
XLogP2.51
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of 4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one (CID 138390641) is 4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one is [H]/N=C1\NC(=O)N(C(C)C)C1c1ccc(C)s1.
What is the InChIKey of 4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one?
The InChIKey is NVAUMSXTGDFCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-6(2)14-9(10(12)13-11(14)15)8-5-4-7(3)16-8/h4-6,9H,1-3H3,(H2,12,13,15).
What are the key properties of 4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one?
4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one has a molecular weight of 237.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-(5-methylthiophen-2-yl)-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 138390641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).