1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one

C12H16ClN3O2 — CID 142099020

IUPAC1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1ccc(O)c(Cl)c1
InChIInChI=1S/C12H16ClN3O2/c13-10-7-9(1-2-11(10)17)8-14-3-5-16-6-4-15-12(16)18/h1-2,7,14,17H,3-6,8H2,(H,15,18)
InChIKeyAMMQYAQRQBTOBS-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.16
Rot. Bonds5

About 1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one

1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one (PubChem CID 142099020) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one
PubChem CID142099020
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCc1ccc(O)c(Cl)c1
InChIInChI=1S/C12H16ClN3O2/c13-10-7-9(1-2-11(10)17)8-14-3-5-16-6-4-15-12(16)18/h1-2,7,14,17H,3-6,8H2,(H,15,18)
InChIKeyAMMQYAQRQBTOBS-UHFFFAOYSA-N
XLogP1.16
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-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-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one (CID 142099020) is 1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCc1ccc(O)c(Cl)c1.
What is the InChIKey of 1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one?
The InChIKey is AMMQYAQRQBTOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-10-7-9(1-2-11(10)17)8-14-3-5-16-6-4-15-12(16)18/h1-2,7,14,17H,3-6,8H2,(H,15,18).
What are the key properties of 1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one?
1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one has a molecular weight of 269.73 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 142099020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).