3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one

C10H8BrFN2O — CID 107590496

IUPAC3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one
SMILESCc1cc(F)c(Br)cc1-n1cc[nH]c1=O
InChIInChI=1S/C10H8BrFN2O/c1-6-4-8(12)7(11)5-9(6)14-3-2-13-10(14)15/h2-5H,1H3,(H,13,15)
InChIKeyILDSQDPNFZXHFR-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.38
Rot. Bonds1

About 3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one

3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one (PubChem CID 107590496) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one
PubChem CID107590496
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one
SMILESCc1cc(F)c(Br)cc1-n1cc[nH]c1=O
InChIInChI=1S/C10H8BrFN2O/c1-6-4-8(12)7(11)5-9(6)14-3-2-13-10(14)15/h2-5H,1H3,(H,13,15)
InChIKeyILDSQDPNFZXHFR-UHFFFAOYSA-N
XLogP2.38
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one (CID 107590496) is 3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one is Cc1cc(F)c(Br)cc1-n1cc[nH]c1=O.
What is the InChIKey of 3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one?
The InChIKey is ILDSQDPNFZXHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-6-4-8(12)7(11)5-9(6)14-3-2-13-10(14)15/h2-5H,1H3,(H,13,15).
What are the key properties of 3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one?
3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one has a molecular weight of 271.09 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-fluoro-2-methylphenyl)-1H-imidazol-2-one is sourced from PubChem (CID 107590496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).