1-(3-amino-4-chlorophenyl)imidazolidin-2-one

C9H10ClN3O — CID 28740345

IUPAC1-(3-amino-4-chlorophenyl)imidazolidin-2-one
SMILESNc1cc(N2CCNC2=O)ccc1Cl
InChIInChI=1S/C9H10ClN3O/c10-7-2-1-6(5-8(7)11)13-4-3-12-9(13)14/h1-2,5H,3-4,11H2,(H,12,14)
InChIKeyZDRXXOIPTXAMEG-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.45
Rot. Bonds1

About 1-(3-amino-4-chlorophenyl)imidazolidin-2-one

1-(3-amino-4-chlorophenyl)imidazolidin-2-one (PubChem CID 28740345) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-(3-amino-4-chlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-4-chlorophenyl)imidazolidin-2-one
PubChem CID28740345
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name1-(3-amino-4-chlorophenyl)imidazolidin-2-one
SMILESNc1cc(N2CCNC2=O)ccc1Cl
InChIInChI=1S/C9H10ClN3O/c10-7-2-1-6(5-8(7)11)13-4-3-12-9(13)14/h1-2,5H,3-4,11H2,(H,12,14)
InChIKeyZDRXXOIPTXAMEG-UHFFFAOYSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-chlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-(3-amino-4-chlorophenyl)imidazolidin-2-one (CID 28740345) is 1-(3-amino-4-chlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-amino-4-chlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-amino-4-chlorophenyl)imidazolidin-2-one is Nc1cc(N2CCNC2=O)ccc1Cl.
What is the InChIKey of 1-(3-amino-4-chlorophenyl)imidazolidin-2-one?
The InChIKey is ZDRXXOIPTXAMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-7-2-1-6(5-8(7)11)13-4-3-12-9(13)14/h1-2,5H,3-4,11H2,(H,12,14).
What are the key properties of 1-(3-amino-4-chlorophenyl)imidazolidin-2-one?
1-(3-amino-4-chlorophenyl)imidazolidin-2-one has a molecular weight of 211.65 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-chlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 28740345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).