5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one

C10H6BrF3N2O — CID 172993777

IUPAC5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]c(Br)cn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C10H6BrF3N2O/c11-8-5-16(9(17)15-8)7-4-2-1-3-6(7)10(12,13)14/h1-5H,(H,15,17)
InChIKeyVVRNJWLDBUMIIA-UHFFFAOYSA-N
MW307.07 g/mol
LogP2.95
Rot. Bonds1

About 5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one

5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one (PubChem CID 172993777) has the molecular formula C10H6BrF3N2O and a molecular weight of 307.07 g/mol. Its IUPAC name is 5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one
PubChem CID172993777
Molecular FormulaC10H6BrF3N2O
Molecular Weight307.07 g/mol
Exact Mass305.96
IUPAC Name5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]c(Br)cn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C10H6BrF3N2O/c11-8-5-16(9(17)15-8)7-4-2-1-3-6(7)10(12,13)14/h1-5H,(H,15,17)
InChIKeyVVRNJWLDBUMIIA-UHFFFAOYSA-N
XLogP2.95
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.07
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one (CID 172993777) is 5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one is O=c1[nH]c(Br)cn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
The InChIKey is VVRNJWLDBUMIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O/c11-8-5-16(9(17)15-8)7-4-2-1-3-6(7)10(12,13)14/h1-5H,(H,15,17).
What are the key properties of 5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one?
5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one has a molecular weight of 307.07 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 172993777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).