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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Related Compounds

2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
CID 136703807
7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one
CID 106702198
1-[1-(2,3-dichlorophenyl)cyclobutyl]-3-methylbutan-1-amine
CID 137332991
6-(2,3-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 19090836
5-[1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-yl]-5-methylimidazolidine-2,4-dione
CID 110187926
(5R)-5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2479691
5-(2-chlorophenyl)-3-[(3-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 3894846
4-chloro-3,3-dimethyl-1H-indol-2-one
CID 53402598
5-amino-2-(2,3-dichlorophenyl)-2-methyl-4-trimethylsilyloxyfuran-3-one
CID 90082115
N-[(2S)-butan-2-yl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702159
N-butan-2-yl-2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4799733
1-(2,3-dichlorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112599049

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).