2-(4-bromo-2-chlorophenyl)imidazolidin-4-one

C9H8BrClN2O — CID 131067531

IUPAC2-(4-bromo-2-chlorophenyl)imidazolidin-4-one
SMILESO=C1CNC(c2ccc(Br)cc2Cl)N1
InChIInChI=1S/C9H8BrClN2O/c10-5-1-2-6(7(11)3-5)9-12-4-8(14)13-9/h1-3,9,12H,4H2,(H,13,14)
InChIKeyBZZQVSWYFVVCKG-UHFFFAOYSA-N
MW275.53 g/mol
LogP1.82
Rot. Bonds1

About 2-(4-bromo-2-chlorophenyl)imidazolidin-4-one

2-(4-bromo-2-chlorophenyl)imidazolidin-4-one (PubChem CID 131067531) has the molecular formula C9H8BrClN2O and a molecular weight of 275.53 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)imidazolidin-4-one
PubChem CID131067531
Molecular FormulaC9H8BrClN2O
Molecular Weight275.53 g/mol
Exact Mass273.95
IUPAC Name2-(4-bromo-2-chlorophenyl)imidazolidin-4-one
SMILESO=C1CNC(c2ccc(Br)cc2Cl)N1
InChIInChI=1S/C9H8BrClN2O/c10-5-1-2-6(7(11)3-5)9-12-4-8(14)13-9/h1-3,9,12H,4H2,(H,13,14)
InChIKeyBZZQVSWYFVVCKG-UHFFFAOYSA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-bromo-2-chlorophenyl)azetidine
CID 130624540
2-(2,4-difluorophenyl)imidazolidin-4-one
CID 130678809
(4S)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one
CID 131592741
2-(3-chloro-4-hydroxyphenyl)imidazolidin-4-one
CID 127013359
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
4-bromo-2-chloro-1-cyclohexylbenzene
CID 158332061
(4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184995
3-(4-bromo-2-chlorophenyl)-1,4-thiazepane 1-oxide
CID 82780500
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
(4S)-4-(4-bromo-2-chlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187996
5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide
CID 82781806
(1S,5R)-3-(5-bromo-2-chlorophenyl)bicyclo[3.2.1]octane-2,4-dione
CID 91244197

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)imidazolidin-4-one?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)imidazolidin-4-one (CID 131067531) is 2-(4-bromo-2-chlorophenyl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)imidazolidin-4-one?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)imidazolidin-4-one is O=C1CNC(c2ccc(Br)cc2Cl)N1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)imidazolidin-4-one?
The InChIKey is BZZQVSWYFVVCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O/c10-5-1-2-6(7(11)3-5)9-12-4-8(14)13-9/h1-3,9,12H,4H2,(H,13,14).
What are the key properties of 2-(4-bromo-2-chlorophenyl)imidazolidin-4-one?
2-(4-bromo-2-chlorophenyl)imidazolidin-4-one has a molecular weight of 275.53 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)imidazolidin-4-one is sourced from PubChem (CID 131067531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).