5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one

C13H8BrFN2O — CID 87581686

IUPAC5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(-c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C13H8BrFN2O/c14-10-6-12-11(16-13(18)17-12)5-9(10)7-1-3-8(15)4-2-7/h1-6H,(H2,16,17,18)
InChIKeyPJCYGZAPEWGIQD-UHFFFAOYSA-N
MW307.12 g/mol
LogP3.42
Rot. Bonds1

About 5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one

5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 87581686) has the molecular formula C13H8BrFN2O and a molecular weight of 307.12 g/mol. Its IUPAC name is 5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID87581686
Molecular FormulaC13H8BrFN2O
Molecular Weight307.12 g/mol
Exact Mass305.98
IUPAC Name5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(-c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C13H8BrFN2O/c14-10-6-12-11(16-13(18)17-12)5-9(10)7-1-3-8(15)4-2-7/h1-6H,(H2,16,17,18)
InChIKeyPJCYGZAPEWGIQD-UHFFFAOYSA-N
XLogP3.42
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one (CID 87581686) is 5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Br)c(-c3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of 5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PJCYGZAPEWGIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O/c14-10-6-12-11(16-13(18)17-12)5-9(10)7-1-3-8(15)4-2-7/h1-6H,(H2,16,17,18).
What are the key properties of 5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 307.12 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-fluorophenyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 87581686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).