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

C15H17N3O — CID 138390505

IUPAC5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC#C)C1(CC)Cc1ccccc1
InChIInChI=1S/C15H17N3O/c1-3-10-18-14(19)17-13(16)15(18,4-2)11-12-8-6-5-7-9-12/h1,5-9H,4,10-11H2,2H3,(H2,16,17,19)
InChIKeyRVWCNPJZVIKQFE-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.01
Rot. Bonds4

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

5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one (PubChem CID 138390505) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one.

Molecular Properties

Compound Name5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one
PubChem CID138390505
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC#C)C1(CC)Cc1ccccc1
InChIInChI=1S/C15H17N3O/c1-3-10-18-14(19)17-13(16)15(18,4-2)11-12-8-6-5-7-9-12/h1,5-9H,4,10-11H2,2H3,(H2,16,17,19)
InChIKeyRVWCNPJZVIKQFE-UHFFFAOYSA-N
XLogP2.01
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-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

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one?
The IUPAC name of 5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one (CID 138390505) is 5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one.
What is the SMILES notation for 5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one?
The canonical SMILES for 5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-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-ynylimidazolidin-2-one?
The InChIKey is RVWCNPJZVIKQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-10-18-14(19)17-13(16)15(18,4-2)11-12-8-6-5-7-9-12/h1,5-9H,4,10-11H2,2H3,(H2,16,17,19).
What are the key properties of 5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one?
5-benzyl-5-ethyl-4-imino-1-prop-2-ynylimidazolidin-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.01, 4 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-ynylimidazolidin-2-one is sourced from PubChem (CID 138390505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).