3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione

C14H17N3O2 — CID 155292888

IUPAC3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(N=Cc2ccc(C)cc2)C1=O
InChIInChI=1S/C14H17N3O2/c1-3-4-12-13(18)17(14(19)16-12)15-9-11-7-5-10(2)6-8-11/h5-9,12H,3-4H2,1-2H3,(H,16,19)
InChIKeyYMNIBJWCARAPKB-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.05
Rot. Bonds4

About 3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione

3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione (PubChem CID 155292888) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione
PubChem CID155292888
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(N=Cc2ccc(C)cc2)C1=O
InChIInChI=1S/C14H17N3O2/c1-3-4-12-13(18)17(14(19)16-12)15-9-11-7-5-10(2)6-8-11/h5-9,12H,3-4H2,1-2H3,(H,16,19)
InChIKeyYMNIBJWCARAPKB-UHFFFAOYSA-N
XLogP2.05
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione 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 3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione (CID 155292888) is 3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(N=Cc2ccc(C)cc2)C1=O.
What is the InChIKey of 3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione?
The InChIKey is YMNIBJWCARAPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-4-12-13(18)17(14(19)16-12)15-9-11-7-5-10(2)6-8-11/h5-9,12H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione?
3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione has a molecular weight of 259.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methylideneamino]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 155292888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).