5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one

C14H17Cl2N3O — CID 136912230

IUPAC5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one
SMILESCC(C)C/N=C1\NC(=O)C(C)(c2cccc(Cl)c2Cl)N1
InChIInChI=1S/C14H17Cl2N3O/c1-8(2)7-17-13-18-12(20)14(3,19-13)9-5-4-6-10(15)11(9)16/h4-6,8H,7H2,1-3H3,(H2,17,18,19,20)
InChIKeyKPZJJVLWLYETSV-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.94
Rot. Bonds3

About 5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one

5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one (PubChem CID 136912230) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one
PubChem CID136912230
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one
SMILESCC(C)C/N=C1\NC(=O)C(C)(c2cccc(Cl)c2Cl)N1
InChIInChI=1S/C14H17Cl2N3O/c1-8(2)7-17-13-18-12(20)14(3,19-13)9-5-4-6-10(15)11(9)16/h4-6,8H,7H2,1-3H3,(H2,17,18,19,20)
InChIKeyKPZJJVLWLYETSV-UHFFFAOYSA-N
XLogP2.94
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one?
The IUPAC name of 5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one (CID 136912230) is 5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one?
The canonical SMILES for 5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one is CC(C)C/N=C1\NC(=O)C(C)(c2cccc(Cl)c2Cl)N1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one?
The InChIKey is KPZJJVLWLYETSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c1-8(2)7-17-13-18-12(20)14(3,19-13)9-5-4-6-10(15)11(9)16/h4-6,8H,7H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one?
5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one has a molecular weight of 314.22 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-5-methyl-2-(2-methylpropylimino)imidazolidin-4-one is sourced from PubChem (CID 136912230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).