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

C16H15BrN2O — CID 118239025

IUPAC1-benzyl-3-(4-bromophenyl)imidazolidin-2-one
SMILESO=C1N(Cc2ccccc2)CCN1c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O/c17-14-6-8-15(9-7-14)19-11-10-18(16(19)20)12-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyQARWBXDKQCZXAE-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.89
Rot. Bonds3

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

1-benzyl-3-(4-bromophenyl)imidazolidin-2-one (PubChem CID 118239025) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-benzyl-3-(4-bromophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(4-bromophenyl)imidazolidin-2-one
PubChem CID118239025
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name1-benzyl-3-(4-bromophenyl)imidazolidin-2-one
SMILESO=C1N(Cc2ccccc2)CCN1c1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O/c17-14-6-8-15(9-7-14)19-11-10-18(16(19)20)12-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyQARWBXDKQCZXAE-UHFFFAOYSA-N
XLogP3.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-bromophenyl)imidazolidin-2-one?
The IUPAC name of 1-benzyl-3-(4-bromophenyl)imidazolidin-2-one (CID 118239025) is 1-benzyl-3-(4-bromophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-benzyl-3-(4-bromophenyl)imidazolidin-2-one?
The canonical SMILES for 1-benzyl-3-(4-bromophenyl)imidazolidin-2-one is O=C1N(Cc2ccccc2)CCN1c1ccc(Br)cc1.
What is the InChIKey of 1-benzyl-3-(4-bromophenyl)imidazolidin-2-one?
The InChIKey is QARWBXDKQCZXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-14-6-8-15(9-7-14)19-11-10-18(16(19)20)12-13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of 1-benzyl-3-(4-bromophenyl)imidazolidin-2-one?
1-benzyl-3-(4-bromophenyl)imidazolidin-2-one has a molecular weight of 331.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-bromophenyl)imidazolidin-2-one is sourced from PubChem (CID 118239025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).