4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one

C12H15N3O — CID 138388630

IUPAC4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1CCc1ccccc1
InChIInChI=1S/C12H15N3O/c1-15-10(11(13)14-12(15)16)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,13,14,16)
InChIKeyYCBLLIAJOWOLJA-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.62
Rot. Bonds3

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

4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one (PubChem CID 138388630) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one
PubChem CID138388630
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C)C1CCc1ccccc1
InChIInChI=1S/C12H15N3O/c1-15-10(11(13)14-12(15)16)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,13,14,16)
InChIKeyYCBLLIAJOWOLJA-UHFFFAOYSA-N
XLogP1.62
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.62
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

4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one
CID 138388889
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
1-methyl-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 67491873
4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one
CID 138388242
4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one
CID 138388722
1-methyl-3-(2-phenylethyl)pyrrolidin-2-one
CID 24974613
1-cyclopropyl-4-imino-5-(2-phenylpropyl)imidazolidin-2-one
CID 138388566
3-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 18720114
5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one
CID 138388629
5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one
CID 138388421
5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one
CID 138389208
1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946971

Frequently Asked Questions

What is the IUPAC name of 4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one?
The IUPAC name of 4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one (CID 138388630) is 4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one.
What is the SMILES notation for 4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one?
The canonical SMILES for 4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one is [H]/N=C1\NC(=O)N(C)C1CCc1ccccc1.
What is the InChIKey of 4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one?
The InChIKey is YCBLLIAJOWOLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-10(11(13)14-12(15)16)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,13,14,16).
What are the key properties of 4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one?
4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one is sourced from PubChem (CID 138388630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).