5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine

C16H15BrFN3 — CID 79502661

IUPAC5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccc(Br)cc2)CN=C(N)N1c1ccccc1F
InChIInChI=1S/C16H15BrFN3/c1-16(11-6-8-12(17)9-7-11)10-20-15(19)21(16)14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,19,20)
InChIKeyUZLWOENSAXZAAG-UHFFFAOYSA-N
MW348.22 g/mol
LogP3.64
Rot. Bonds2

About 5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine

5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79502661) has the molecular formula C16H15BrFN3 and a molecular weight of 348.22 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79502661
Molecular FormulaC16H15BrFN3
Molecular Weight348.22 g/mol
Exact Mass347.04
IUPAC Name5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccc(Br)cc2)CN=C(N)N1c1ccccc1F
InChIInChI=1S/C16H15BrFN3/c1-16(11-6-8-12(17)9-7-11)10-20-15(19)21(16)14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,19,20)
InChIKeyUZLWOENSAXZAAG-UHFFFAOYSA-N
XLogP3.64
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine (CID 79502661) is 5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine is CC1(c2ccc(Br)cc2)CN=C(N)N1c1ccccc1F.
What is the InChIKey of 5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is UZLWOENSAXZAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3/c1-16(11-6-8-12(17)9-7-11)10-20-15(19)21(16)14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H2,19,20).
What are the key properties of 5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine?
5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 348.22 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-(2-fluorophenyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79502661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).