1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one

C11H14ClN3O — CID 62490122

IUPAC1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(Cl)cc2N)C1=O
InChIInChI=1S/C11H14ClN3O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)6-10(8)13/h2-3,6H,4-5,7,13H2,1H3
InChIKeyHVMARNKGHYLCDD-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.79
Rot. Bonds2

About 1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one

1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one (PubChem CID 62490122) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one
PubChem CID62490122
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(Cc2ccc(Cl)cc2N)C1=O
InChIInChI=1S/C11H14ClN3O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)6-10(8)13/h2-3,6H,4-5,7,13H2,1H3
InChIKeyHVMARNKGHYLCDD-UHFFFAOYSA-N
XLogP1.79
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-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-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one (CID 62490122) is 1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one is CN1CCN(Cc2ccc(Cl)cc2N)C1=O.
What is the InChIKey of 1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one?
The InChIKey is HVMARNKGHYLCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-14-4-5-15(11(14)16)7-8-2-3-9(12)6-10(8)13/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of 1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one?
1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one has a molecular weight of 239.71 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-chlorophenyl)methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 62490122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).