5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine

C13H17BrFN3 — CID 79498282

IUPAC5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
SMILESCC(C)N1C(N)=NCC1(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H17BrFN3/c1-8(2)18-12(16)17-7-13(18,3)9-4-5-11(15)10(14)6-9/h4-6,8H,7H2,1-3H3,(H2,16,17)
InChIKeyHWUPRCPEFVMMBT-UHFFFAOYSA-N
MW314.20 g/mol
LogP2.84
Rot. Bonds2

About 5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine

5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine (PubChem CID 79498282) has the molecular formula C13H17BrFN3 and a molecular weight of 314.20 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
PubChem CID79498282
Molecular FormulaC13H17BrFN3
Molecular Weight314.20 g/mol
Exact Mass313.06
IUPAC Name5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
SMILESCC(C)N1C(N)=NCC1(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H17BrFN3/c1-8(2)18-12(16)17-7-13(18,3)9-4-5-11(15)10(14)6-9/h4-6,8H,7H2,1-3H3,(H2,16,17)
InChIKeyHWUPRCPEFVMMBT-UHFFFAOYSA-N
XLogP2.84
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine (CID 79498282) is 5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine is CC(C)N1C(N)=NCC1(C)c1ccc(F)c(Br)c1.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
The InChIKey is HWUPRCPEFVMMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN3/c1-8(2)18-12(16)17-7-13(18,3)9-4-5-11(15)10(14)6-9/h4-6,8H,7H2,1-3H3,(H2,16,17).
What are the key properties of 5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine?
5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine has a molecular weight of 314.20 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenyl)-5-methyl-1-propan-2-yl-4H-imidazol-2-amine is sourced from PubChem (CID 79498282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).