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

C12H13BrFN3 — CID 79510435

IUPAC5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Br)ccc2F)N1C1CC1
InChIInChI=1S/C12H13BrFN3/c13-7-1-4-10(14)9(5-7)11-6-16-12(15)17(11)8-2-3-8/h1,4-5,8,11H,2-3,6H2,(H2,15,16)
InChIKeyIGCIJLRYZLYDIC-UHFFFAOYSA-N
MW298.16 g/mol
LogP2.42
Rot. Bonds2

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

5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine (PubChem CID 79510435) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
PubChem CID79510435
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Br)ccc2F)N1C1CC1
InChIInChI=1S/C12H13BrFN3/c13-7-1-4-10(14)9(5-7)11-6-16-12(15)17(11)8-2-3-8/h1,4-5,8,11H,2-3,6H2,(H2,15,16)
InChIKeyIGCIJLRYZLYDIC-UHFFFAOYSA-N
XLogP2.42
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 52.42
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-cyclopropyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine (CID 79510435) is 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cc(Br)ccc2F)N1C1CC1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
The InChIKey is IGCIJLRYZLYDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c13-7-1-4-10(14)9(5-7)11-6-16-12(15)17(11)8-2-3-8/h1,4-5,8,11H,2-3,6H2,(H2,15,16).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine?
5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine has a molecular weight of 298.16 g/mol, XLogP of 2.42, 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-cyclopropyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79510435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).