3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one

C9H6BrFN2O — CID 103124142

IUPAC3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(F)c(Br)c1
InChIInChI=1S/C9H6BrFN2O/c10-7-5-6(1-2-8(7)11)13-4-3-12-9(13)14/h1-5H,(H,12,14)
InChIKeySNGFANGRVWQNSM-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.07
Rot. Bonds1

About 3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one

3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one (PubChem CID 103124142) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one
PubChem CID103124142
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccc(F)c(Br)c1
InChIInChI=1S/C9H6BrFN2O/c10-7-5-6(1-2-8(7)11)13-4-3-12-9(13)14/h1-5H,(H,12,14)
InChIKeySNGFANGRVWQNSM-UHFFFAOYSA-N
XLogP2.07
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one (CID 103124142) is 3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one is O=c1[nH]ccn1-c1ccc(F)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one?
The InChIKey is SNGFANGRVWQNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c10-7-5-6(1-2-8(7)11)13-4-3-12-9(13)14/h1-5H,(H,12,14).
What are the key properties of 3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one?
3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one has a molecular weight of 257.06 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-1H-imidazol-2-one is sourced from PubChem (CID 103124142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).