3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one

C15H21N3O — CID 154768733

IUPAC3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\N(C)CC(=O)N1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21N3O/c1-15(2,3)12-7-5-11(6-8-12)9-18-13(19)10-17(4)14(18)16/h5-8,16H,9-10H2,1-4H3/b16-14+
InChIKeyKAHZQEKUSGHNRQ-JQIJEIRASA-N
MW259.35 g/mol
LogP2.19
Rot. Bonds2

About 3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one

3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one (PubChem CID 154768733) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one
PubChem CID154768733
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\N(C)CC(=O)N1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H21N3O/c1-15(2,3)12-7-5-11(6-8-12)9-18-13(19)10-17(4)14(18)16/h5-8,16H,9-10H2,1-4H3/b16-14+
InChIKeyKAHZQEKUSGHNRQ-JQIJEIRASA-N
XLogP2.19
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-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 3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one?
The IUPAC name of 3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one (CID 154768733) is 3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one?
The canonical SMILES for 3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one is [H]/N=C1\N(C)CC(=O)N1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one?
The InChIKey is KAHZQEKUSGHNRQ-JQIJEIRASA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)12-7-5-11(6-8-12)9-18-13(19)10-17(4)14(18)16/h5-8,16H,9-10H2,1-4H3/b16-14+.
What are the key properties of 3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one?
3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methyl]-2-imino-1-methylimidazolidin-4-one is sourced from PubChem (CID 154768733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).