5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine

C15H16BrN3O — CID 104654165

IUPAC5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine
SMILESCc1ccccc1N1C(N)=NCC1(C)c1ccc(Br)o1
InChIInChI=1S/C15H16BrN3O/c1-10-5-3-4-6-11(10)19-14(17)18-9-15(19,2)12-7-8-13(16)20-12/h3-8H,9H2,1-2H3,(H2,17,18)
InChIKeyVSUHUDMVHLXZPE-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.40
Rot. Bonds2

About 5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine

5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine (PubChem CID 104654165) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine
PubChem CID104654165
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine
SMILESCc1ccccc1N1C(N)=NCC1(C)c1ccc(Br)o1
InChIInChI=1S/C15H16BrN3O/c1-10-5-3-4-6-11(10)19-14(17)18-9-15(19,2)12-7-8-13(16)20-12/h3-8H,9H2,1-2H3,(H2,17,18)
InChIKeyVSUHUDMVHLXZPE-UHFFFAOYSA-N
XLogP3.40
TPSA54.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine (CID 104654165) is 5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine is Cc1ccccc1N1C(N)=NCC1(C)c1ccc(Br)o1.
What is the InChIKey of 5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
The InChIKey is VSUHUDMVHLXZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-5-3-4-6-11(10)19-14(17)18-9-15(19,2)12-7-8-13(16)20-12/h3-8H,9H2,1-2H3,(H2,17,18).
What are the key properties of 5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine?
5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine has a molecular weight of 334.22 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-yl)-5-methyl-1-(2-methylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 104654165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).