5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine

C9H9BrFN3 — CID 79510677

IUPAC5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(c2ccc(Br)cc2F)N1
InChIInChI=1S/C9H9BrFN3/c10-5-1-2-6(7(11)3-5)8-4-13-9(12)14-8/h1-3,8H,4H2,(H3,12,13,14)
InChIKeySACVRBAXOQLVMO-UHFFFAOYSA-N
MW258.09 g/mol
LogP1.55
Rot. Bonds1

About 5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine

5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 79510677) has the molecular formula C9H9BrFN3 and a molecular weight of 258.09 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID79510677
Molecular FormulaC9H9BrFN3
Molecular Weight258.09 g/mol
Exact Mass257.00
IUPAC Name5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESNC1=NCC(c2ccc(Br)cc2F)N1
InChIInChI=1S/C9H9BrFN3/c10-5-1-2-6(7(11)3-5)8-4-13-9(12)14-8/h1-3,8H,4H2,(H3,12,13,14)
InChIKeySACVRBAXOQLVMO-UHFFFAOYSA-N
XLogP1.55
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 79510677) is 5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine is NC1=NCC(c2ccc(Br)cc2F)N1.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is SACVRBAXOQLVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN3/c10-5-1-2-6(7(11)3-5)8-4-13-9(12)14-8/h1-3,8H,4H2,(H3,12,13,14).
What are the key properties of 5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 258.09 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 79510677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).