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

C9H8BrClN2O — CID 130613636

IUPAC(4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2ccc(Cl)cc2Br)N1
InChIInChI=1S/C9H8BrClN2O/c10-7-3-5(11)1-2-6(7)8-4-12-9(14)13-8/h1-3,8H,4H2,(H2,12,13,14)/t8-/m1/s1
InChIKeyILNOUDKMRJLAPX-MRVPVSSYSA-N
MW275.53 g/mol
LogP2.46
Rot. Bonds1

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

(4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one (PubChem CID 130613636) has the molecular formula C9H8BrClN2O and a molecular weight of 275.53 g/mol. Its IUPAC name is (4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one
PubChem CID130613636
Molecular FormulaC9H8BrClN2O
Molecular Weight275.53 g/mol
Exact Mass273.95
IUPAC Name(4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2ccc(Cl)cc2Br)N1
InChIInChI=1S/C9H8BrClN2O/c10-7-3-5(11)1-2-6(7)8-4-12-9(14)13-8/h1-3,8H,4H2,(H2,12,13,14)/t8-/m1/s1
InChIKeyILNOUDKMRJLAPX-MRVPVSSYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one
CID 130889049
(4S)-4-(2-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067480
(4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one
CID 171252704
(4R)-4-(3-bromo-4-fluorophenyl)imidazolidin-2-one
CID 130723631
(4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one
CID 130707431
(4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one
CID 130619455
(2S)-2-(2-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196306
(4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one
CID 131078848
(4R)-4-(2-fluoro-4-hydroxyphenyl)imidazolidin-2-one
CID 131037955
(4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 171252545
(4S)-4-(2,4,5-trifluorophenyl)imidazolidin-2-one
CID 171252769
4-(2-chloro-5-fluoro-4-methylphenyl)imidazolidin-2-one
CID 116855884

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one (CID 130613636) is (4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one is O=C1NC[C@H](c2ccc(Cl)cc2Br)N1.
What is the InChIKey of (4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one?
The InChIKey is ILNOUDKMRJLAPX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8BrClN2O/c10-7-3-5(11)1-2-6(7)8-4-12-9(14)13-8/h1-3,8H,4H2,(H2,12,13,14)/t8-/m1/s1.
What are the key properties of (4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one?
(4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one has a molecular weight of 275.53 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 130613636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).