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'}

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Related Compounds

Dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium
CID 53350242
(2S)-N-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500047
1-Ethanimidoyl-3-[[5-(trifluoromethyl)thiophen-2-yl]methyl]urea
CID 173573299
1-Methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea
CID 175286877
1-Butanimidoyl-1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]urea
CID 154031097
1-Ethanimidoyl-1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]urea
CID 154475393
1-[2-(Dimethylamino)ethanimidoyl]-1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]urea
CID 162571128
1-Cyclohexyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
CID 3542429
1-Cyclohexyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 16302766
4-Thiophen-2-ylimidazolidin-2-one
CID 15700913
(4R)-1-propan-2-yl-4-(thiophen-2-ylmethyl)imidazolidin-2-one
CID 176750421
1-cyclohexyl-3-[(1S,2S)-1-pyrrolidin-1-ium-1-yl-1-thiophen-2-ylpropan-2-yl]urea
CID 2330900

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).