5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one

C15H19N3O — CID 138390268

IUPAC5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC=C)C1(CC)Cc1ccccc1
InChIInChI=1S/C15H19N3O/c1-3-10-18-14(19)17-13(16)15(18,4-2)11-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3,(H2,16,17,19)
InChIKeyGILSIHSOKMABQM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.57
Rot. Bonds5

About 5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one

5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one (PubChem CID 138390268) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one
PubChem CID138390268
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC=C)C1(CC)Cc1ccccc1
InChIInChI=1S/C15H19N3O/c1-3-10-18-14(19)17-13(16)15(18,4-2)11-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3,(H2,16,17,19)
InChIKeyGILSIHSOKMABQM-UHFFFAOYSA-N
XLogP2.57
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one
CID 138390505
5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one
CID 138390658
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-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138391195
1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one
CID 138391184
1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one
CID 138390974
1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391010
5-ethyl-4-imino-1-(2-methoxyethyl)-5-(methoxymethyl)imidazolidin-2-one
CID 138389794
4-imino-1,5-dimethyl-5-(2-phenylethyl)imidazolidin-2-one
CID 138388722
4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389825
9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one
CID 138390922

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one?
The IUPAC name of 5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one (CID 138390268) is 5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC=C)C1(CC)Cc1ccccc1.
What is the InChIKey of 5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one?
The InChIKey is GILSIHSOKMABQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-10-18-14(19)17-13(16)15(18,4-2)11-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3,(H2,16,17,19).
What are the key properties of 5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one?
5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-ethyl-4-imino-1-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 138390268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).