(4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one

C10H8BrF3N2O — CID 171252545

IUPAC(4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NC[C@@H](c2cc(C(F)(F)F)ccc2Br)N1
InChIInChI=1S/C10H8BrF3N2O/c11-7-2-1-5(10(12,13)14)3-6(7)8-4-15-9(17)16-8/h1-3,8H,4H2,(H2,15,16,17)/t8-/m0/s1
InChIKeyHEXLKVNHICEJGP-QMMMGPOBSA-N
MW309.09 g/mol
LogP2.82
Rot. Bonds1

About (4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one

(4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 171252545) has the molecular formula C10H8BrF3N2O and a molecular weight of 309.09 g/mol. Its IUPAC name is (4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID171252545
Molecular FormulaC10H8BrF3N2O
Molecular Weight309.09 g/mol
Exact Mass307.98
IUPAC Name(4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NC[C@@H](c2cc(C(F)(F)F)ccc2Br)N1
InChIInChI=1S/C10H8BrF3N2O/c11-7-2-1-5(10(12,13)14)3-6(7)8-4-15-9(17)16-8/h1-3,8H,4H2,(H2,15,16,17)/t8-/m0/s1
InChIKeyHEXLKVNHICEJGP-QMMMGPOBSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.09
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of (4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 171252545) is (4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for (4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for (4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C1NC[C@@H](c2cc(C(F)(F)F)ccc2Br)N1.
What is the InChIKey of (4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is HEXLKVNHICEJGP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H8BrF3N2O/c11-7-2-1-5(10(12,13)14)3-6(7)8-4-15-9(17)16-8/h1-3,8H,4H2,(H2,15,16,17)/t8-/m0/s1.
What are the key properties of (4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one?
(4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 309.09 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-bromo-5-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 171252545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).