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

C15H14BrN3O — CID 116979261

IUPAC1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one
SMILESNc1ccc(N2CC(c3ccccc3Br)NC2=O)cc1
InChIInChI=1S/C15H14BrN3O/c16-13-4-2-1-3-12(13)14-9-19(15(20)18-14)11-7-5-10(17)6-8-11/h1-8,14H,9,17H2,(H,18,20)
InChIKeySHSXFTHXIXKHQT-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.30
Rot. Bonds2

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

1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one (PubChem CID 116979261) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one
PubChem CID116979261
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one
SMILESNc1ccc(N2CC(c3ccccc3Br)NC2=O)cc1
InChIInChI=1S/C15H14BrN3O/c16-13-4-2-1-3-12(13)14-9-19(15(20)18-14)11-7-5-10(17)6-8-11/h1-8,14H,9,17H2,(H,18,20)
InChIKeySHSXFTHXIXKHQT-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one?
The IUPAC name of 1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one (CID 116979261) is 1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one is Nc1ccc(N2CC(c3ccccc3Br)NC2=O)cc1.
What is the InChIKey of 1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one?
The InChIKey is SHSXFTHXIXKHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-13-4-2-1-3-12(13)14-9-19(15(20)18-14)11-7-5-10(17)6-8-11/h1-8,14H,9,17H2,(H,18,20).
What are the key properties of 1-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one?
1-(4-aminophenyl)-4-(2-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-(4-aminophenyl)-4-(2-bromophenyl)imidazolidin-2-one is sourced from PubChem (CID 116979261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).