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

C15H12BrF2N3 — CID 79499549

IUPAC5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Br)ccc2F)N1c1ccc(F)cc1
InChIInChI=1S/C15H12BrF2N3/c16-9-1-6-13(18)12(7-9)14-8-20-15(19)21(14)11-4-2-10(17)3-5-11/h1-7,14H,8H2,(H2,19,20)
InChIKeyFSJISIRNIXRHJH-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.60
Rot. Bonds2

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

5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79499549) has the molecular formula C15H12BrF2N3 and a molecular weight of 352.18 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
PubChem CID79499549
Molecular FormulaC15H12BrF2N3
Molecular Weight352.18 g/mol
Exact Mass351.02
IUPAC Name5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Br)ccc2F)N1c1ccc(F)cc1
InChIInChI=1S/C15H12BrF2N3/c16-9-1-6-13(18)12(7-9)14-8-20-15(19)21(14)11-4-2-10(17)3-5-11/h1-7,14H,8H2,(H2,19,20)
InChIKeyFSJISIRNIXRHJH-UHFFFAOYSA-N
XLogP3.60
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine (CID 79499549) is 5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cc(Br)ccc2F)N1c1ccc(F)cc1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is FSJISIRNIXRHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2N3/c16-9-1-6-13(18)12(7-9)14-8-20-15(19)21(14)11-4-2-10(17)3-5-11/h1-7,14H,8H2,(H2,19,20).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine?
5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 352.18 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79499549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).