4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one

C12H11BrFN3O — CID 82998264

IUPAC4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1cc(Br)ccc1F
InChIInChI=1S/C12H11BrFN3O/c13-6-1-4-9(14)8(5-6)10-11(18)17-12(16-10)15-7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,17,18)
InChIKeyWNASGXFONSVEPV-UHFFFAOYSA-N
MW312.14 g/mol
LogP1.87
Rot. Bonds2

About 4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one

4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one (PubChem CID 82998264) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
PubChem CID82998264
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one
SMILESO=C1NC(NC2CC2)=NC1c1cc(Br)ccc1F
InChIInChI=1S/C12H11BrFN3O/c13-6-1-4-9(14)8(5-6)10-11(18)17-12(16-10)15-7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,17,18)
InChIKeyWNASGXFONSVEPV-UHFFFAOYSA-N
XLogP1.87
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one (CID 82998264) is 4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one is O=C1NC(NC2CC2)=NC1c1cc(Br)ccc1F.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
The InChIKey is WNASGXFONSVEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c13-6-1-4-9(14)8(5-6)10-11(18)17-12(16-10)15-7-2-3-7/h1,4-5,7,10H,2-3H2,(H2,15,16,17,18).
What are the key properties of 4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one?
4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one has a molecular weight of 312.14 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82998264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).