2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one

C10H11N3OS — CID 171128297

IUPAC2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2ccc(C)s2)N1C
InChIInChI=1S/C10H11N3OS/c1-6-3-4-7(15-6)5-8-9(14)12-10(11)13(8)2/h3-5H,1-2H3,(H2,11,12,14)
InChIKeyUUMOBMXTNIALJL-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.39
Rot. Bonds1

About 2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one

2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one (PubChem CID 171128297) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one.

Molecular Properties

Compound Name2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one
PubChem CID171128297
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2ccc(C)s2)N1C
InChIInChI=1S/C10H11N3OS/c1-6-3-4-7(15-6)5-8-9(14)12-10(11)13(8)2/h3-5H,1-2H3,(H2,11,12,14)
InChIKeyUUMOBMXTNIALJL-UHFFFAOYSA-N
XLogP1.39
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one?
The IUPAC name of 2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one (CID 171128297) is 2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one.
What is the SMILES notation for 2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one?
The canonical SMILES for 2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one is [H]/N=C1\NC(=O)C(=Cc2ccc(C)s2)N1C.
What is the InChIKey of 2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one?
The InChIKey is UUMOBMXTNIALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-6-3-4-7(15-6)5-8-9(14)12-10(11)13(8)2/h3-5H,1-2H3,(H2,11,12,14).
What are the key properties of 2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one?
2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one has a molecular weight of 221.28 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methyl-5-[(5-methylthiophen-2-yl)methylidene]imidazolidin-4-one is sourced from PubChem (CID 171128297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).