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

C12H15N3O — CID 138389208

IUPAC5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1(C)CCc1ccccc1
InChIInChI=1S/C12H15N3O/c1-12(10(13)14-11(16)15-12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,13,14,15,16)
InChIKeyASGTXEJEDIRVGT-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.67
Rot. Bonds3

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

5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one (PubChem CID 138389208) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one
PubChem CID138389208
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)NC1(C)CCc1ccccc1
InChIInChI=1S/C12H15N3O/c1-12(10(13)14-11(16)15-12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,13,14,15,16)
InChIKeyASGTXEJEDIRVGT-UHFFFAOYSA-N
XLogP1.67
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one
CID 138388722
5-[2-(4-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione;5-methyl-5-[2-[4-(2-phenylethynyl)phenyl]ethyl]imidazolidine-2,4-dione
CID 158732289
5-[2-(3-fluorophenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 141409275
1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one
CID 138391184
1-benzyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138390340
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one
CID 138390342
(5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7479984
CID 131882586
CID 131882586
(5S)-5-[2-(2-bromophenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 124672916
5-[2-(2-fluorophenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 141409272
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198

Frequently Asked Questions

What is the IUPAC name of 5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one?
The IUPAC name of 5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one (CID 138389208) is 5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one.
What is the SMILES notation for 5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one?
The canonical SMILES for 5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one is [H]/N=C1\NC(=O)NC1(C)CCc1ccccc1.
What is the InChIKey of 5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one?
The InChIKey is ASGTXEJEDIRVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(10(13)14-11(16)15-12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,13,14,15,16).
What are the key properties of 5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one?
5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-methyl-4-(2-phenylethyl)imidazolidin-2-one is sourced from PubChem (CID 138389208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).