3-(3-bromophenyl)imidazolidin-4-one

C9H9BrN2O — CID 83718816

IUPAC3-(3-bromophenyl)imidazolidin-4-one
SMILESO=C1CNCN1c1cccc(Br)c1
InChIInChI=1S/C9H9BrN2O/c10-7-2-1-3-8(4-7)12-6-11-5-9(12)13/h1-4,11H,5-6H2
InChIKeyIIMQDQNWWMQAMM-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.34
Rot. Bonds1

About 3-(3-bromophenyl)imidazolidin-4-one

3-(3-bromophenyl)imidazolidin-4-one (PubChem CID 83718816) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 3-(3-bromophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(3-bromophenyl)imidazolidin-4-one
PubChem CID83718816
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name3-(3-bromophenyl)imidazolidin-4-one
SMILESO=C1CNCN1c1cccc(Br)c1
InChIInChI=1S/C9H9BrN2O/c10-7-2-1-3-8(4-7)12-6-11-5-9(12)13/h1-4,11H,5-6H2
InChIKeyIIMQDQNWWMQAMM-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3-bromophenyl)pyrrolidin-2-one
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6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009745
4-(3-bromophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3857832
4-(3-bromophenyl)-1,2,3,6-tetrahydro-1,4-benzodiazocin-5-one
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1-(3-bromophenyl)-3,3-dimethyl-1,4-diazocan-2-one
CID 117016441
3-(3-bromophenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84808182
1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64961530
1-(3-bromophenyl)-3-(1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 119415517
6-amino-2-(3-bromophenyl)-3H-isoindol-1-one
CID 82165752
1-(3-bromophenyl)-1,2,4-triazinane-3,5-dione
CID 19829907
1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione
CID 61036556
(3S)-3-[(3R)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
CID 124611408

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)imidazolidin-4-one?
The IUPAC name of 3-(3-bromophenyl)imidazolidin-4-one (CID 83718816) is 3-(3-bromophenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(3-bromophenyl)imidazolidin-4-one?
The canonical SMILES for 3-(3-bromophenyl)imidazolidin-4-one is O=C1CNCN1c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)imidazolidin-4-one?
The InChIKey is IIMQDQNWWMQAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-2-1-3-8(4-7)12-6-11-5-9(12)13/h1-4,11H,5-6H2.
What are the key properties of 3-(3-bromophenyl)imidazolidin-4-one?
3-(3-bromophenyl)imidazolidin-4-one has a molecular weight of 241.09 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)imidazolidin-4-one is sourced from PubChem (CID 83718816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).