4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one

C12H17N3OS — CID 138388789

IUPAC4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1c1ccc(C)s1
InChIInChI=1S/C12H17N3OS/c1-7(2)6-15-10(11(13)14-12(15)16)9-5-4-8(3)17-9/h4-5,7,10H,6H2,1-3H3,(H2,13,14,16)
InChIKeyDQRMEVKHERZVAP-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.76
Rot. Bonds3

About 4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one

4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one (PubChem CID 138388789) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one
PubChem CID138388789
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C1c1ccc(C)s1
InChIInChI=1S/C12H17N3OS/c1-7(2)6-15-10(11(13)14-12(15)16)9-5-4-8(3)17-9/h4-5,7,10H,6H2,1-3H3,(H2,13,14,16)
InChIKeyDQRMEVKHERZVAP-UHFFFAOYSA-N
XLogP2.76
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one?
The IUPAC name of 4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one (CID 138388789) is 4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one.
What is the SMILES notation for 4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one?
The canonical SMILES for 4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(CC(C)C)C1c1ccc(C)s1.
What is the InChIKey of 4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one?
The InChIKey is DQRMEVKHERZVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7(2)6-15-10(11(13)14-12(15)16)9-5-4-8(3)17-9/h4-5,7,10H,6H2,1-3H3,(H2,13,14,16).
What are the key properties of 4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one?
4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one has a molecular weight of 251.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-(2-methylpropyl)-5-(5-methylthiophen-2-yl)imidazolidin-2-one is sourced from PubChem (CID 138388789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).