(4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one

C9H8BrFN2O — CID 130707431

IUPAC(4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2cccc(Br)c2F)N1
InChIInChI=1S/C9H8BrFN2O/c10-6-3-1-2-5(8(6)11)7-4-12-9(14)13-7/h1-3,7H,4H2,(H2,12,13,14)/t7-/m1/s1
InChIKeyCWZHRTITBUTFNY-SSDOTTSWSA-N
MW259.08 g/mol
LogP1.94
Rot. Bonds1

About (4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one

(4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one (PubChem CID 130707431) has the molecular formula C9H8BrFN2O and a molecular weight of 259.08 g/mol. Its IUPAC name is (4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one
PubChem CID130707431
Molecular FormulaC9H8BrFN2O
Molecular Weight259.08 g/mol
Exact Mass257.98
IUPAC Name(4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2cccc(Br)c2F)N1
InChIInChI=1S/C9H8BrFN2O/c10-6-3-1-2-5(8(6)11)7-4-12-9(14)13-7/h1-3,7H,4H2,(H2,12,13,14)/t7-/m1/s1
InChIKeyCWZHRTITBUTFNY-SSDOTTSWSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one
CID 171252704
(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one
CID 130692620
(4S)-4-(2-fluoro-3-pyridinyl)imidazolidin-2-one
CID 130916233
(4S)-4-(2-bromo-4-chlorophenyl)imidazolidin-2-one
CID 130613636
(4R)-4-(3-bromo-4-fluorophenyl)imidazolidin-2-one
CID 130723631
(4R)-4-(2-fluoro-4-hydroxyphenyl)imidazolidin-2-one
CID 131037955
(4R)-4-(4-bromo-2-hydroxyphenyl)imidazolidin-2-one
CID 130619455
2-(3-bromo-2-fluorophenyl)azepane
CID 106646528
(4S)-4-(3-chloro-2-hydroxyphenyl)imidazolidin-2-one
CID 131078848
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
CID 171195428
(4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 171252545
(4S)-4-(2,4,5-trifluorophenyl)imidazolidin-2-one
CID 171252769

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one (CID 130707431) is (4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one is O=C1NC[C@H](c2cccc(Br)c2F)N1.
What is the InChIKey of (4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one?
The InChIKey is CWZHRTITBUTFNY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H8BrFN2O/c10-6-3-1-2-5(8(6)11)7-4-12-9(14)13-7/h1-3,7H,4H2,(H2,12,13,14)/t7-/m1/s1.
What are the key properties of (4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one?
(4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one has a molecular weight of 259.08 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 130707431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).