4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one

C13H17N3O — CID 138388722

IUPAC4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1(C)CCc1ccccc1
InChIInChI=1S/C13H17N3O/c1-13(11(14)15-12(17)16(13)2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyRYFPZPCRPVRIDF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.01
Rot. Bonds3

About 4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one

4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one (PubChem CID 138388722) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one
PubChem CID138388722
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1(C)CCc1ccccc1
InChIInChI=1S/C13H17N3O/c1-13(11(14)15-12(17)16(13)2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,14,15,17)
InChIKeyRYFPZPCRPVRIDF-UHFFFAOYSA-N
XLogP2.01
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.01
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

5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one
CID 138389208
1-benzyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138390340
1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one
CID 138390342
4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one
CID 138388630
4'-imino-1'-methylspiro[1,2-dihydroindene-3,5'-imidazolidine]-2'-one
CID 138388524
1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138389354
4-imino-5-[(4-methoxyphenyl)methyl]-5-methyl-1-propylimidazolidin-2-one
CID 138389048
5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one
CID 138390505
1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391010
3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione
CID 64901606
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
3-benzyl-1-tert-butyl-2-imino-5,5-diphenylimidazolidin-4-one
CID 610510

Frequently Asked Questions

What is the IUPAC name of 4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one?
The IUPAC name of 4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one (CID 138388722) is 4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one.
What is the SMILES notation for 4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one?
The canonical SMILES for 4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(C)C1(C)CCc1ccccc1.
What is the InChIKey of 4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one?
The InChIKey is RYFPZPCRPVRIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(11(14)15-12(17)16(13)2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,14,15,17).
What are the key properties of 4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one?
4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one is sourced from PubChem (CID 138388722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).