2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one

C14H19N3O — CID 145459681

IUPAC2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one
SMILESCCc1ccc(CN2C(=O)C(C)(C)N=C2N)cc1
InChIInChI=1S/C14H19N3O/c1-4-10-5-7-11(8-6-10)9-17-12(18)14(2,3)16-13(17)15/h5-8H,4,9H2,1-3H3,(H2,15,16)
InChIKeySSAWICZITPQFCL-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.68
Rot. Bonds3

About 2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one

2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one (PubChem CID 145459681) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one
PubChem CID145459681
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one
SMILESCCc1ccc(CN2C(=O)C(C)(C)N=C2N)cc1
InChIInChI=1S/C14H19N3O/c1-4-10-5-7-11(8-6-10)9-17-12(18)14(2,3)16-13(17)15/h5-8H,4,9H2,1-3H3,(H2,15,16)
InChIKeySSAWICZITPQFCL-UHFFFAOYSA-N
XLogP1.68
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-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

Related Compounds

1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 106901068
3-[[4-(bromomethyl)phenyl]methyl]-2-butyl-5,5-dimethylimidazol-4-one;ethane
CID 142914150
2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 162544157
1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione
CID 106900584
methyl 4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]benzoate
CID 59388667
N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide
CID 25006056
N-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]propane-1-sulfonohydrazide
CID 118911465
1-[(4-ethylphenyl)methyl]piperidine-2,6-dione
CID 82128665
3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5200341
2-amino-5-butyl-5-(cyclohexylmethyl)-3-[[4-(methylaminomethyl)phenyl]methyl]imidazol-4-one
CID 118926007
2-amino-5-methyl-5-(2-methylpropyl)-3-[[4-(2-oxo-4-phenylbutyl)phenyl]methyl]imidazol-4-one
CID 58425126
2-amino-5-butyl-3-[[4-(3-oxooctyl)phenyl]methyl]-5-propan-2-ylimidazol-4-one
CID 58425116

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one?
The IUPAC name of 2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one (CID 145459681) is 2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one.
What is the SMILES notation for 2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one?
The canonical SMILES for 2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one is CCc1ccc(CN2C(=O)C(C)(C)N=C2N)cc1.
What is the InChIKey of 2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one?
The InChIKey is SSAWICZITPQFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-10-5-7-11(8-6-10)9-17-12(18)14(2,3)16-13(17)15/h5-8H,4,9H2,1-3H3,(H2,15,16).
What are the key properties of 2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one?
2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one has a molecular weight of 245.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one is sourced from PubChem (CID 145459681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).