5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine

C15H13BrFN3 — CID 79514525

IUPAC5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Br)cc2F)N1c1ccccc1
InChIInChI=1S/C15H13BrFN3/c16-10-6-7-12(13(17)8-10)14-9-19-15(18)20(14)11-4-2-1-3-5-11/h1-8,14H,9H2,(H2,18,19)
InChIKeyLEGWUFYJKZHOPE-UHFFFAOYSA-N
MW334.19 g/mol
LogP3.46
Rot. Bonds2

About 5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine

5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 79514525) has the molecular formula C15H13BrFN3 and a molecular weight of 334.19 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID79514525
Molecular FormulaC15H13BrFN3
Molecular Weight334.19 g/mol
Exact Mass333.03
IUPAC Name5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Br)cc2F)N1c1ccccc1
InChIInChI=1S/C15H13BrFN3/c16-10-6-7-12(13(17)8-10)14-9-19-15(18)20(14)11-4-2-1-3-5-11/h1-8,14H,9H2,(H2,18,19)
InChIKeyLEGWUFYJKZHOPE-UHFFFAOYSA-N
XLogP3.46
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine (CID 79514525) is 5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(Br)cc2F)N1c1ccccc1.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is LEGWUFYJKZHOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3/c16-10-6-7-12(13(17)8-10)14-9-19-15(18)20(14)11-4-2-1-3-5-11/h1-8,14H,9H2,(H2,18,19).
What are the key properties of 5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine?
5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 334.19 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-1-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).