1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one

C15H14BrN3O — CID 116979206

IUPAC1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one
SMILESNc1cccc(N2CC(c3ccc(Br)cc3)NC2=O)c1
InChIInChI=1S/C15H14BrN3O/c16-11-6-4-10(5-7-11)14-9-19(15(20)18-14)13-3-1-2-12(17)8-13/h1-8,14H,9,17H2,(H,18,20)
InChIKeyPSFXZHQEVXTFNG-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.30
Rot. Bonds2

About 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one

1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one (PubChem CID 116979206) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one
PubChem CID116979206
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one
SMILESNc1cccc(N2CC(c3ccc(Br)cc3)NC2=O)c1
InChIInChI=1S/C15H14BrN3O/c16-11-6-4-10(5-7-11)14-9-19(15(20)18-14)13-3-1-2-12(17)8-13/h1-8,14H,9,17H2,(H,18,20)
InChIKeyPSFXZHQEVXTFNG-UHFFFAOYSA-N
XLogP3.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.30
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-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one?
The IUPAC name of 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one (CID 116979206) is 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one is Nc1cccc(N2CC(c3ccc(Br)cc3)NC2=O)c1.
What is the InChIKey of 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one?
The InChIKey is PSFXZHQEVXTFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-11-6-4-10(5-7-11)14-9-19(15(20)18-14)13-3-1-2-12(17)8-13/h1-8,14H,9,17H2,(H,18,20).
What are the key properties of 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one?
1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one has a molecular weight of 332.20 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-4-(4-bromophenyl)imidazolidin-2-one is sourced from PubChem (CID 116979206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).