1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one

C16H17N3O — CID 116981888

IUPAC1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(N)cc2)CC1c1ccccc1
InChIInChI=1S/C16H17N3O/c1-18-15(12-5-3-2-4-6-12)11-19(16(18)20)14-9-7-13(17)8-10-14/h2-10,15H,11,17H2,1H3
InChIKeyIBJGLCRZFXTUPX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.88
Rot. Bonds2

About 1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one

1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one (PubChem CID 116981888) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one
PubChem CID116981888
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(N)cc2)CC1c1ccccc1
InChIInChI=1S/C16H17N3O/c1-18-15(12-5-3-2-4-6-12)11-19(16(18)20)14-9-7-13(17)8-10-14/h2-10,15H,11,17H2,1H3
InChIKeyIBJGLCRZFXTUPX-UHFFFAOYSA-N
XLogP2.88
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-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 1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one?
The IUPAC name of 1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one (CID 116981888) is 1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one.
What is the SMILES notation for 1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one?
The canonical SMILES for 1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one is CN1C(=O)N(c2ccc(N)cc2)CC1c1ccccc1.
What is the InChIKey of 1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one?
The InChIKey is IBJGLCRZFXTUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-18-15(12-5-3-2-4-6-12)11-19(16(18)20)14-9-7-13(17)8-10-14/h2-10,15H,11,17H2,1H3.
What are the key properties of 1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one?
1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one is sourced from PubChem (CID 116981888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).